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

Systemtic Name: (E)-3-[4-[[1-[(1-cyclobutyl-2-pyridin-2-yl-benzimidazol-5-yl)carbonylamino]cyclopentyl]carbonylamino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[[1-[[1-cyclobutyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[[1-[[[1-cyclobutyl-2-(2-pyridinyl)-5-benzimidazolyl]-oxomethyl]amino]cyclopentyl]-oxomethyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[[1-[(1-cyclobutyl-2-pyridin-2-ylbenzimidazole-5-carbonyl)amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[1-[[1-cyclobutyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]acrylic acid Formula: C32H31N5O4 MolecularWeight: 549.61964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)NC2=CC=C(C=C2)C=CC(=O)O)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=CC=CC=N5)C6CCC6

Isomeric SMILES

C1CCC(C1)(C(=O)NC2=CC=C(C=C2)/C=C/C(=O)O)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=CC=CC=N5)C6CCC6

InChI

InChI=1S/C32H31N5O4/c38-28(39)16-11-21-9-13-23(14-10-21)34-31(41)32(17-2-3-18-32)36-30(40)22-12-15-27-26(20-22)35-29(25-8-1-4-19-33-25)37(27)24-6-5-7-24/h1,4,8-16,19-20,24H,2-3,5-7,17-18H2,(H,34,41)(H,36,40)(H,38,39)/b16-11+