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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxy-3-methoxyphenyl)-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-(4-butoxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-butoxy-3-methoxy-phenyl)acrylic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)C)OC

InChI

InChI=1S/C24H26N2O5/c1-4-5-12-30-20-9-7-18(13-21(20)29-3)8-11-24(28)31-16-19-14-23(27)26-15-17(2)6-10-22(26)25-19/h6-11,13-15H,4-5,12,16H2,1-3H3/b11-8+