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Home> Hot Product Listed P   > Pyrrolidine,3-[(4-chlorophenyl)phenylmethoxy]-1-(phenylmethyl)-
56379-89-6 structure

Pyrrolidine,3-[(4-chlorophenyl)phenylmethoxy]-1-(phenylmethyl)-

Iupac Name:2-(phenoxycarbonylamino)-3-phenylpropanoic acid
CAS No.:56379-89-6
Molecular Weight:285.299
Molecular Formula:C15H25NO (isomer)
Names and Identifiers
Synonyms

Pyrrolidine,1-benzyl-3-(p-chloro-a-phenylbenzyloxy)- (6CI)

Inchi
InChI=1S/C16H15NO4/c18-15(19)14(11-12-7-3-1-4-8-12)17-16(20)21-13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,20)(H,18,19)
InChkey
QAGUVKYLCYSVQT-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OC2=CC=CC=C2
Properties
Density
1.276 g/cm3
Melting Point
85-87 °C(lit.)
Refractive Index
1.596
Safety and Handling
Safety Statements
22-24/25
Computational chemical data
  • Molecular Weight:285.299g/mol
  • Molecular Formula:C15H25NO
  • Compound Is Canonicalized:True
  • Exact Mass:285.1
  • Monoisotopic Mass:285.1
  • Complexity:346
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:75.6A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccB6OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADCzBmAQwDoLABgCI AiDSGAACCAAgIAAIiIGOCIkOJjKEsTuMciAk1hEYqAeYyKCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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