dimethyl (Z)-2-[[4-(2-methylpropoxy)-2-(phenylcarbamoyl)quinolin-8-yl]amino]but-2-enedioate

Systemtic Name: dimethyl (Z)-2-[[4-(2-methylpropoxy)-2-(phenylcarbamoyl)quinolin-8-yl]amino]but-2-enedioate Openeye Name: dimethyl (Z)-2-[[4-isobutoxy-2-(phenylcarbamoyl)-8-quinolyl]amino]but-2-enedioate CAS Name: (Z)-2-[[2-[anilino(oxo)methyl]-4-(2-methylpropoxy)-8-quinolinyl]amino]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-[[4-(2-methylpropoxy)-2-(phenylcarbamoyl)quinolin-8-yl]amino]but-2-enedioate Traditional Name: (Z)-2-[[4-isobutoxy-2-(phenylcarbamoyl)-8-quinolyl]amino]but-2-enedioic acid dimethyl ester Formula: C26H27N3O6 MolecularWeight: 477.50908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC(=NC2=C1C=CC=C2NC(=CC(=O)OC)C(=O)OC)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=CC(=NC2=C1C=CC=C2N/C(=C\C(=O)OC)/C(=O)OC)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O6/c1-16(2)15-35-22-13-20(25(31)27-17-9-6-5-7-10-17)29-24-18(22)11-8-12-19(24)28-21(26(32)34-4)14-23(30)33-3/h5-14,16,28H,15H2,1-4H3,(H,27,31)/b21-14-