(E)-3-[4-[[1-[[1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-indol-5-yl]carbonylamino]cyclobutyl]carbonylamino]-2-ethoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[[1-[[1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-indol-5-yl]carbonylamino]cyclobutyl]carbonylamino]-2-ethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[[1-[[1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-indole-5-carbonyl]amino]cyclobutanecarbonyl]amino]-2-ethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[[1-[[[1-cyclohexyl-2-(4-methoxy-2-pyrimidinyl)-3-methyl-5-indolyl]-oxomethyl]amino]cyclobutyl]-oxomethyl]amino]-2-ethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[[1-[[1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methylindole-5-carbonyl]amino]cyclobutanecarbonyl]amino]-2-ethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[1-[[1-cyclohexyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-indole-5-carbonyl]amino]cyclobutanecarbonyl]amino]-2-ethoxy-phenyl]acrylic acid Formula: C37H41N5O6 MolecularWeight: 651.75134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)NC(=O)C2(CCC2)NC(=O)C3=CC4=C(C=C3)N(C(=C4C)C5=NC=CC(=N5)OC)C6CCCCC6)C=CC(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)NC(=O)C2(CCC2)NC(=O)C3=CC4=C(C=C3)N(C(=C4C)C5=NC=CC(=N5)OC)C6CCCCC6)/C=C/C(=O)O

InChI

InChI=1S/C37H41N5O6/c1-4-48-30-22-26(14-11-24(30)13-16-32(43)44)39-36(46)37(18-8-19-37)41-35(45)25-12-15-29-28(21-25)23(2)33(34-38-20-17-31(40-34)47-3)42(29)27-9-6-5-7-10-27/h11-17,20-22,27H,4-10,18-19H2,1-3H3,(H,39,46)(H,41,45)(H,43,44)/b16-13+