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

Systemtic Name: 2-[3-[(3-cyanophenyl)carbamoyl]phenyl]-1-cyclopentyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[3-[(3-cyanophenyl)carbamoyl]phenyl]-1-cyclopentyl-benzimidazole-5-carboxylic acid CAS Name: 2-[3-[(3-cyanoanilino)-oxomethyl]phenyl]-1-cyclopentyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[3-[(3-cyanophenyl)carbamoyl]phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid Traditional Name: 2-[3-[(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(=CC=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(=CC=C4)C(=O)NC5=CC=CC(=C5)C#N

InChI

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