1-(3H-benzimidazol-5-ylcarbonyl)-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(3H-benzimidazol-5-ylcarbonyl)-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-(3H-benzimidazole-5-carbonyl)-4-benzyl-piperidine-4-carboxylic acid CAS Name: 1-[3H-benzimidazol-5-yl(oxo)methyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(3H-benzimidazole-5-carbonyl)-4-benzylpiperidine-4-carboxylic acid Traditional Name: 1-(3H-benzimidazole-5-carbonyl)-4-benzyl-isonipecotic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C21H21N3O3/c25-19(16-6-7-17-18(12-16)23-14-22-17)24-10-8-21(9-11-24,20(26)27)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H,22,23)(H,26,27)