(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-butoxybenzoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-butoxybenzoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C

InChI

InChI=1S/C21H22N2O4/c1-3-4-12-26-18-9-7-16(8-10-18)21(25)27-14-17-13-19(24)23-11-5-6-15(2)20(23)22-17/h5-11,13H,3-4,12,14H2,1-2H3