ethyl (E)-2-cyano-3-[2-(5-methyl-2-propan-2-yl-phenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[2-(5-methyl-2-propan-2-yl-phenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-(2-isopropyl-5-methyl-phenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-(5-methyl-2-propan-2-ylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2-(5-methyl-2-propan-2-ylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2-(2-isopropyl-5-methyl-phenoxy)-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]acrylic acid ethyl ester Formula: C24H24N3O4+ MolecularWeight: 418.46506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(NC2=CC=CC=[N+]2C1=O)OC3=C(C=CC(=C3)C)C(C)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(NC2=CC=CC=[N+]2C1=O)OC3=C(C=CC(=C3)C)C(C)C)/C#N

InChI

InChI=1S/C24H23N3O4/c1-5-30-24(29)17(14-25)13-19-22(26-21-8-6-7-11-27(21)23(19)28)31-20-12-16(4)9-10-18(20)15(2)3/h6-13,15H,5H2,1-4H3/p+1/b17-13+