ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(4-ethanoylphenyl)carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(4-ethanoylphenyl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(4-acetylbenzoyl)-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(4-acetylphenyl)-oxomethyl]-3-[(3-chlorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(4-acetylbenzoyl)-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(4-acetylbenzoyl)-3-(3-chlorobenzyl)nipecotic acid ethyl ester Formula: C24H26ClNO4 MolecularWeight: 427.92054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=C(C=C2)C(=O)C)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC=C(C=C2)C(=O)C)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C24H26ClNO4/c1-3-30-23(29)24(15-18-6-4-7-21(25)14-18)12-5-13-26(16-24)22(28)20-10-8-19(9-11-20)17(2)27/h4,6-11,14H,3,5,12-13,15-16H2,1-2H3/t24-/m0/s1