(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate

Systemtic Name: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate Openeye Name: (6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3-phenoxyphenyl)-2-propenoic acid (6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-phenoxyphenyl)acrylic acid (4-keto-6-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C=CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)/C=C/C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H20N2O4/c1-18-7-5-12-23-26-20(16-24(28)27(18)23)17-30-25(29)14-13-19-8-6-11-22(15-19)31-21-9-3-2-4-10-21/h2-16H,17H2,1H3/b14-13+