(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-butyl-1-benzofuran-3-yl)prop-2-enoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-butyl-1-benzofuran-3-yl)prop-2-enoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-butylbenzofuran-3-yl)prop-2-enoate CAS Name: (E)-3-(2-butyl-3-benzofuranyl)-2-propenoic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-butyl-1-benzofuran-3-yl)prop-2-enoate Traditional Name: (E)-3-(2-butylbenzofuran-3-yl)acrylic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C25H24N2O4 MolecularWeight: 416.46906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C=CC(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)C

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)/C=C/C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)C

InChI

InChI=1S/C25H24N2O4/c1-3-4-8-21-20(19-7-5-6-9-22(19)31-21)11-13-25(29)30-16-18-14-24(28)27-15-17(2)10-12-23(27)26-18/h5-7,9-15H,3-4,8,16H2,1-2H3/b13-11+