2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxylic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)O

InChI

InChI=1S/C21H21N3O3/c25-20(22-16-4-2-1-3-5-16)14-8-6-13(7-9-14)19-23-17-11-10-15(21(26)27)12-18(17)24-19/h6-12,16H,1-5H2,(H,22,25)(H,23,24)(H,26,27)