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

Systemtic Name: 3-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]piperidin-1-yl]carbonylamino]benzoic acid Openeye Name: 3-[[4-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]piperidine-1-carbonyl]amino]benzoic acid CAS Name: 3-[[[4-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-1-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-1-carbonyl]amino]benzoic acid Traditional Name: 3-[[4-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]piperidine-1-carbonyl]amino]benzoic acid Formula: C31H33N5O5 MolecularWeight: 555.62422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCN(CC4)C(=O)NC5=CC=CC(=C5)C(=O)O)N=C2C6=COC=C6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCN(CC4)C(=O)NC5=CC=CC(=C5)C(=O)O)N=C2C6=COC=C6

InChI

InChI=1S/C31H33N5O5/c37-29(32-23-11-14-35(15-12-23)31(40)33-24-6-4-5-21(17-24)30(38)39)20-9-10-27-26(18-20)34-28(22-13-16-41-19-22)36(27)25-7-2-1-3-8-25/h4-6,9-10,13,16-19,23,25H,1-3,7-8,11-12,14-15H2,(H,32,37)(H,33,40)(H,38,39)