[1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl] ester IUPAC Name: [1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C=CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)/C=C/C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H24N2O4/c1-3-6-23(28)27-21-13-10-19(11-14-21)25(30)17(2)31-24(29)16-15-20-12-9-18-7-4-5-8-22(18)26-20/h4-5,7-17H,3,6H2,1-2H3,(H,27,28)/b16-15+