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

Systemtic Name: 1-[(4-acetamidophenyl)-(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-acetamidophenyl)-(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-acetamidophenyl)-(1-methyl-2-benzimidazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-acetamidophenyl)-(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-acetamidophenyl)-(1-methylbenzimidazol-2-yl)methyl]isonipecotic acid Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2C)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2C)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C23H26N4O3/c1-15(28)24-18-9-7-16(8-10-18)21(27-13-11-17(12-14-27)23(29)30)22-25-19-5-3-4-6-20(19)26(22)2/h3-10,17,21H,11-14H2,1-2H3,(H,24,28)(H,29,30)