ethyl 1-[(4-acetamidophenyl)methyl]-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-acetamidophenyl)methyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-acetamidophenyl)methyl]-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[(4-acetamidophenyl)methyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-acetamidophenyl)methyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-(4-acetamidobenzyl)-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C26H34N2O3 MolecularWeight: 422.55976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)NC(=O)C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)NC(=O)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C26H34N2O3/c1-3-31-25(30)26(15-7-10-22-8-5-4-6-9-22)16-18-28(19-17-26)20-23-11-13-24(14-12-23)27-21(2)29/h4-6,8-9,11-14H,3,7,10,15-20H2,1-2H3,(H,27,29)