2-[4-[[6-(cyclohexylcarbamoylamino)-2-ethyl-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[6-(cyclohexylcarbamoylamino)-2-ethyl-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[6-(cyclohexylcarbamoylamino)-2-ethyl-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[6-[[(cyclohexylamino)-oxomethyl]amino]-2-ethyl-4-methyl-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[6-(cyclohexylcarbamoylamino)-2-ethyl-4-methylbenzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[6-(cyclohexylcarbamoylamino)-2-ethyl-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C31H34N4O3 MolecularWeight: 510.62666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)NC(=O)NC5CCCCC5

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)NC(=O)NC5CCCCC5

InChI

InChI=1S/C31H34N4O3/c1-3-28-34-29-20(2)17-24(33-31(38)32-23-9-5-4-6-10-23)18-27(29)35(28)19-21-13-15-22(16-14-21)25-11-7-8-12-26(25)30(36)37/h7-8,11-18,23H,3-6,9-10,19H2,1-2H3,(H,36,37)(H2,32,33,38)