[2-[[2-(2-methylpropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-[[2-(2-methylpropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-[2-(isobutylcarbamoyl)anilino]-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-[2-[(2-methylpropylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-[2-(isobutylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)C=CC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)/C=C/C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C25H25N3O4/c1-17(2)15-27-25(31)20-10-3-4-11-21(20)28-22(29)16-32-23(30)13-12-19-8-5-7-18-9-6-14-26-24(18)19/h3-14,17H,15-16H2,1-2H3,(H,27,31)(H,28,29)/b13-12+