(4-ethanoylphenyl) (3S)-1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (4-ethanoylphenyl) (3S)-1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: (4-acetylphenyl) (3S)-1-(4-chlorobenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (3S)-1-(4-chlorobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-chlorobenzoyl)nipecotic acid (4-acetylphenyl) ester Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClNO4/c1-14(24)15-6-10-19(11-7-15)27-21(26)17-3-2-12-23(13-17)20(25)16-4-8-18(22)9-5-16/h4-11,17H,2-3,12-13H2,1H3/t17-/m0/s1