ethyl 1-(3H-benzimidazol-5-ylcarbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(3H-benzimidazol-5-ylcarbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(3H-benzimidazole-5-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[3H-benzimidazol-5-yl(oxo)methyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3H-benzimidazole-5-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-(3H-benzimidazole-5-carbonyl)-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC3=C(C=C2)N=CN3)CCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC3=C(C=C2)N=CN3)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3/c1-2-31-24(30)25(12-6-9-19-7-4-3-5-8-19)13-15-28(16-14-25)23(29)20-10-11-21-22(17-20)27-18-26-21/h3-5,7-8,10-11,17-18H,2,6,9,12-16H2,1H3,(H,26,27)