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

Systemtic Name: 2-[4-[[2-butyl-6-[(2-carboxycyclohexen-1-yl)amino]benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-6-[(2-carboxycyclohexen-1-yl)amino]benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-6-[(2-carboxy-1-cyclohexenyl)amino]-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-6-[(2-carboxycyclohexen-1-yl)amino]benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-6-[(2-carboxycyclohexen-1-yl)amino]benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C32H33N3O4 MolecularWeight: 523.62212

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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)NC5=C(CCCC5)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)NC5=C(CCCC5)C(=O)O

InChI

InChI=1S/C32H33N3O4/c1-2-3-12-30-34-28-18-17-23(33-27-11-7-6-10-26(27)32(38)39)19-29(28)35(30)20-21-13-15-22(16-14-21)24-8-4-5-9-25(24)31(36)37/h4-5,8-9,13-19,33H,2-3,6-7,10-12,20H2,1H3,(H,36,37)(H,38,39)