3-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[4-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]piperidino]methyl]benzoic acid Formula: C31H34N4O4 MolecularWeight: 526.62606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCN(CC4)CC5=CC=CC(=C5)C(=O)O)N=C2C6=COC=C6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCN(CC4)CC5=CC=CC(=C5)C(=O)O)N=C2C6=COC=C6

InChI

InChI=1S/C31H34N4O4/c36-30(32-25-11-14-34(15-12-25)19-21-5-4-6-23(17-21)31(37)38)22-9-10-28-27(18-22)33-29(24-13-16-39-20-24)35(28)26-7-2-1-3-8-26/h4-6,9-10,13,16-18,20,25-26H,1-3,7-8,11-12,14-15,19H2,(H,32,36)(H,37,38)