(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: (4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-methoxyphenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(3-methoxyphenyl)-1-oxo-4-isoquinolinecarboxylic acid (4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-(3-methoxyphenyl)isoquinoline-4-carboxylic acid (4-ketopyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C26H19N3O5 MolecularWeight: 453.44616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OCC4=CC(=O)N5C=CC=CC5=N4

Isomeric SMILES

COC1=CC=CC(=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OCC4=CC(=O)N5C=CC=CC5=N4

InChI

InChI=1S/C26H19N3O5/c1-33-19-8-6-7-18(14-19)29-15-22(20-9-2-3-10-21(20)25(29)31)26(32)34-16-17-13-24(30)28-12-5-4-11-23(28)27-17/h2-15H,16H2,1H3