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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-butoxybenzoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (4-keto-7-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=C(C=CC3=N2)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)C

InChI

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