(E)-3-[4-[[3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]pyrrolidin-1-yl]methyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[[3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]pyrrolidin-1-yl]methyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[[3-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]pyrrolidin-1-yl]methyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[3-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-1-pyrrolidinyl]methyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[[3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]pyrrolidin-1-yl]methyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[3-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]pyrrolidino]methyl]phenyl]acrylic acid Formula: C32H34N4O4 MolecularWeight: 538.63676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCN(C4)CC5=CC=C(C=C5)C=CC(=O)O)N=C2C6=COC=C6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCN(C4)CC5=CC=C(C=C5)/C=C/C(=O)O)N=C2C6=COC=C6

InChI

InChI=1S/C32H34N4O4/c37-30(38)13-10-22-6-8-23(9-7-22)19-35-16-14-26(20-35)33-32(39)24-11-12-29-28(18-24)34-31(25-15-17-40-21-25)36(29)27-4-2-1-3-5-27/h6-13,15,17-18,21,26-27H,1-5,14,16,19-20H2,(H,33,39)(H,37,38)/b13-10+