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

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(3-ethanoylphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-acetylphenyl)methyl]-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(3-acetylphenyl)methyl]-4-[(4-chlorophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-acetylphenyl)methyl]-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-(3-acetylbenzyl)-4-(4-chlorobenzyl)isonipecotic acid ethyl ester Formula: C24H28ClNO3 MolecularWeight: 413.93702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=CC(=C2)C(=O)C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=CC(=C2)C(=O)C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H28ClNO3/c1-3-29-23(28)24(16-19-7-9-22(25)10-8-19)11-13-26(14-12-24)17-20-5-4-6-21(15-20)18(2)27/h4-10,15H,3,11-14,16-17H2,1-2H3