1-cyclohexyl-2-[4-[(phenylmethyl)-propan-2-yl-carbamoyl]phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[4-[(phenylmethyl)-propan-2-yl-carbamoyl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[benzyl(isopropyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[4-[oxo-[(phenylmethyl)-propan-2-ylamino]methyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[benzyl(propan-2-yl)carbamoyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[benzyl(isopropyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O

InChI

InChI=1S/C31H33N3O3/c1-21(2)33(20-22-9-5-3-6-10-22)30(35)24-15-13-23(14-16-24)29-32-27-19-25(31(36)37)17-18-28(27)34(29)26-11-7-4-8-12-26/h3,5-6,9-10,13-19,21,26H,4,7-8,11-12,20H2,1-2H3,(H,36,37)