ethyl 1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-4-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-4-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperidine-4-carboxylate Traditional Name: 4-benzyl-1-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]isonipecotic acid ethyl ester Formula: C27H30N4O2 MolecularWeight: 442.5527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CN=CN2CC3=CC=C(C=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CN=CN2CC3=CC=C(C=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O2/c1-2-33-26(32)27(16-22-6-4-3-5-7-22)12-14-30(15-13-27)20-25-18-29-21-31(25)19-24-10-8-23(17-28)9-11-24/h3-11,18,21H,2,12-16,19-20H2,1H3