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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(2-bromo-4-methylphenyl)-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-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)C)Br

InChI

InChI=1S/C20H17BrN2O3/c1-13-3-5-15(17(21)9-13)6-8-20(25)26-12-16-10-19(24)23-11-14(2)4-7-18(23)22-16/h3-11H,12H2,1-2H3/b8-6+