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

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

InChI

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