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Home> Hot Product Listed M   > MOLPORT-005-454-365
148729-22-0 structure

MOLPORT-005-454-365

Iupac Name:ethyl 1-[(3-nitrophenyl)methyl]piperidine-2-carboxylate
CAS No.:148729-22-0
Molecular Weight:292.335
Molecular Formula:C20H20FN3O3S2 (isomer)
Names and Identifiers
Synonyms

3-(cyclopentylformamido)-3-(3,4-dimethoxyphenyl)propanoic acid MCULE-4493532816 T6591032 Z85907349

Inchi
InChI=1S/C15H20N2O4/c1-2-21-15(18)14-8-3-4-9-16(14)11-12-6-5-7-13(10-12)17(19)20/h5-7,10,14H,2-4,8-9,11H2,1H3
InChkey
MVKJFVIGDDHTBK-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C1CCCCN1CC2=CC(=CC=C2)[N+](=O)[O-]
Computational chemical data
  • Molecular Weight:292.335g/mol
  • Molecular Formula:C20H20FN3O3S2
  • Compound Is Canonicalized:True
  • Exact Mass:292.142
  • Monoisotopic Mass:292.142
  • Complexity:369
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • 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
 
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