2-[4-[[2-butyl-6-[(4-cyclohexylcyclohexyl)carbamoylamino]benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-6-[(4-cyclohexylcyclohexyl)carbamoylamino]benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-6-[(4-cyclohexylcyclohexyl)carbamoylamino]benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-6-[[[(4-cyclohexylcyclohexyl)amino]-oxomethyl]amino]-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-6-[(4-cyclohexylcyclohexyl)carbamoylamino]benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-6-[(4-cyclohexylcyclohexyl)carbamoylamino]benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C38H46N4O3 MolecularWeight: 606.79684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)NC(=O)NC5CCC(CC5)C6CCCCC6

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)NC(=O)NC5CCC(CC5)C6CCCCC6

InChI

InChI=1S/C38H46N4O3/c1-2-3-13-36-41-34-23-22-31(40-38(45)39-30-20-18-28(19-21-30)27-9-5-4-6-10-27)24-35(34)42(36)25-26-14-16-29(17-15-26)32-11-7-8-12-33(32)37(43)44/h7-8,11-12,14-17,22-24,27-28,30H,2-6,9-10,13,18-21,25H2,1H3,(H,43,44)(H2,39,40,45)