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

Systemtic Name: 2-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]piperidin-1-yl]carbonylamino]benzoic acid Openeye Name: 2-[[4-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]piperidine-1-carbonyl]amino]benzoic acid CAS Name: 2-[[[4-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-1-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-1-carbonyl]amino]benzoic acid Traditional Name: 2-[[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=C5C(=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=C5C(=O)O)N=C2C6=COC=C6

InChI

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