(E)-3-[4-[[1-[[2-(1,3-benzodioxol-4-yl)-1-cyclopentyl-benzimidazol-5-yl]carbonylamino]cyclopentyl]carbonylamino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[[1-[[2-(1,3-benzodioxol-4-yl)-1-cyclopentyl-benzimidazol-5-yl]carbonylamino]cyclopentyl]carbonylamino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[[1-[[2-(1,3-benzodioxol-4-yl)-1-cyclopentyl-benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[[1-[[[2-(1,3-benzodioxol-4-yl)-1-cyclopentyl-5-benzimidazolyl]-oxomethyl]amino]cyclopentyl]-oxomethyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[[1-[[2-(1,3-benzodioxol-4-yl)-1-cyclopentylbenzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[1-[[2-(1,3-benzodioxol-4-yl)-1-cyclopentyl-benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]acrylic acid Formula: C35H34N4O6 MolecularWeight: 606.66766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C=C(C=C3)C(=O)NC4(CCCC4)C(=O)NC5=CC=C(C=C5)C=CC(=O)O)N=C2C6=C7C(=CC=C6)OCO7

Isomeric SMILES

C1CCC(C1)N2C3=C(C=C(C=C3)C(=O)NC4(CCCC4)C(=O)NC5=CC=C(C=C5)/C=C/C(=O)O)N=C2C6=C7C(=CC=C6)OCO7

InChI

InChI=1S/C35H34N4O6/c40-30(41)17-12-22-10-14-24(15-11-22)36-34(43)35(18-3-4-19-35)38-33(42)23-13-16-28-27(20-23)37-32(39(28)25-6-1-2-7-25)26-8-5-9-29-31(26)45-21-44-29/h5,8-17,20,25H,1-4,6-7,18-19,21H2,(H,36,43)(H,38,42)(H,40,41)/b17-12+