1-[(4-acetamidophenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-acetamidophenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-acetamidophenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-acetamidophenyl)-(1-ethyl-2-benzimidazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-acetamidophenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-acetamidophenyl)-(1-ethylbenzimidazol-2-yl)methyl]isonipecotic acid Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C(C3=CC=C(C=C3)NC(=O)C)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1C(C3=CC=C(C=C3)NC(=O)C)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C24H28N4O3/c1-3-28-21-7-5-4-6-20(21)26-23(28)22(27-14-12-18(13-15-27)24(30)31)17-8-10-19(11-9-17)25-16(2)29/h4-11,18,22H,3,12-15H2,1-2H3,(H,25,29)(H,30,31)