1-cyclohexyl-2-[4-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[4-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[4-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[4-[[(3-methoxyphenyl)methylamino]-oxomethyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[4-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[4-(m-anisylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid Formula: C29H29N3O4 MolecularWeight: 483.55826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O

InChI

InChI=1S/C29H29N3O4/c1-36-24-9-5-6-19(16-24)18-30-28(33)21-12-10-20(11-13-21)27-31-25-17-22(29(34)35)14-15-26(25)32(27)23-7-3-2-4-8-23/h5-6,9-17,23H,2-4,7-8,18H2,1H3,(H,30,33)(H,34,35)