2-[4-[(3-cyanophenyl)carbamoyl]phenyl]-1-cyclopentyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-[(3-cyanophenyl)carbamoyl]phenyl]-1-cyclopentyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[(3-cyanophenyl)carbamoyl]phenyl]-1-cyclopentyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[(3-cyanoanilino)-oxomethyl]phenyl]-1-cyclopentyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[(3-cyanophenyl)carbamoyl]phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[(3-cyanophenyl)carbamoyl]phenyl]-1-cyclopentyl-benzimidazole-5-carboxylic acid Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)C(=O)NC5=CC=CC(=C5)C#N

Isomeric SMILES

C1CCC(C1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)C(=O)NC5=CC=CC(=C5)C#N

InChI

InChI=1S/C27H22N4O3/c28-16-17-4-3-5-21(14-17)29-26(32)19-10-8-18(9-11-19)25-30-23-15-20(27(33)34)12-13-24(23)31(25)22-6-1-2-7-22/h3-5,8-15,22H,1-2,6-7H2,(H,29,32)(H,33,34)