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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC=C2NC(=O)NC5CCCCC5

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC=C2NC(=O)NC5CCCCC5

InChI

InChI=1S/C31H34N4O3/c1-2-9-28-34-29-26(33-31(38)32-23-10-4-3-5-11-23)14-8-15-27(29)35(28)20-21-16-18-22(19-17-21)24-12-6-7-13-25(24)30(36)37/h6-8,12-19,23H,2-5,9-11,20H2,1H3,(H,36,37)(H2,32,33,38)