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

Systemtic Name: 3-[[3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]pyrrolidin-1-yl]carbonylamino]benzoic acid Openeye Name: 3-[[3-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]pyrrolidine-1-carbonyl]amino]benzoic acid CAS Name: 3-[[[3-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-1-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]pyrrolidine-1-carbonyl]amino]benzoic acid Traditional Name: 3-[[3-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]pyrrolidine-1-carbonyl]amino]benzoic acid Formula: C30H31N5O5 MolecularWeight: 541.59764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCN(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)NC4CCN(C4)C(=O)NC5=CC=CC(=C5)C(=O)O)N=C2C6=COC=C6

InChI

InChI=1S/C30H31N5O5/c36-28(31-23-11-13-34(17-23)30(39)32-22-6-4-5-20(15-22)29(37)38)19-9-10-26-25(16-19)33-27(21-12-14-40-18-21)35(26)24-7-2-1-3-8-24/h4-6,9-10,12,14-16,18,23-24H,1-3,7-8,11,13,17H2,(H,31,36)(H,32,39)(H,37,38)