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

Systemtic Name: 3-[[3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]piperidin-1-yl]carbonylamino]benzoic acid Openeye Name: 3-[[3-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]piperidine-1-carbonyl]amino]benzoic acid CAS Name: 3-[[[3-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-1-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-1-carbonyl]amino]benzoic acid Traditional Name: 3-[[3-[[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)NC4CCCN(C4)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)NC4CCCN(C4)C(=O)NC5=CC=CC(=C5)C(=O)O)N=C2C6=COC=C6

InChI

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