2-[4-[butyl(phenyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-[butyl(phenyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[butyl(phenyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[(N-butylanilino)-oxomethyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[butyl(phenyl)carbamoyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[butyl(phenyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O

InChI

InChI=1S/C31H33N3O3/c1-2-3-20-33(25-10-6-4-7-11-25)30(35)23-16-14-22(15-17-23)29-32-27-21-24(31(36)37)18-19-28(27)34(29)26-12-8-5-9-13-26/h4,6-7,10-11,14-19,21,26H,2-3,5,8-9,12-13,20H2,1H3,(H,36,37)