ethyl 1-[3-(1H-imidazol-2-yl)phenyl]carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(1H-imidazol-2-yl)phenyl]carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(1H-imidazol-2-yl)benzoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[[3-(1H-imidazol-2-yl)phenyl]-oxomethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1H-imidazol-2-yl)benzoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-[3-(1H-imidazol-2-yl)benzoyl]-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C27H31N3O3 MolecularWeight: 445.55334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=CC(=C2)C3=NC=CN3)CCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=CC(=C2)C3=NC=CN3)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3/c1-2-33-26(32)27(13-7-10-21-8-4-3-5-9-21)14-18-30(19-15-27)25(31)23-12-6-11-22(20-23)24-28-16-17-29-24/h3-6,8-9,11-12,16-17,20H,2,7,10,13-15,18-19H2,1H3,(H,28,29)