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

Systemtic Name: (E)-3-[4-[[1-[(1-cyclobutyl-2-thiophen-2-yl-benzimidazol-5-yl)carbonylamino]cyclopentyl]carbonylamino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[[1-[[1-cyclobutyl-2-(2-thienyl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[[1-[[(1-cyclobutyl-2-thiophen-2-yl-5-benzimidazolyl)-oxomethyl]amino]cyclopentyl]-oxomethyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[[1-[(1-cyclobutyl-2-thiophen-2-ylbenzimidazole-5-carbonyl)amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[1-[[1-cyclobutyl-2-(2-thienyl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]acrylic acid Formula: C31H30N4O4S MolecularWeight: 554.6593

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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=CS5)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=CS5)C6CCC6

InChI

InChI=1S/C31H30N4O4S/c36-27(37)15-10-20-8-12-22(13-9-20)32-30(39)31(16-1-2-17-31)34-29(38)21-11-14-25-24(19-21)33-28(26-7-4-18-40-26)35(25)23-5-3-6-23/h4,7-15,18-19,23H,1-3,5-6,16-17H2,(H,32,39)(H,34,38)(H,36,37)/b15-10+