(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(2-methylpropoxy)benzoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(2-methylpropoxy)benzoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-isobutoxybenzoate CAS Name: 3-(2-methylpropoxy)benzoic 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 3-(2-methylpropoxy)benzoate Traditional Name: 3-isobutoxybenzoic 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:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3=CC(=CC=C3)OCC(C)C

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3=CC(=CC=C3)OCC(C)C

InChI

InChI=1S/C21H22N2O4/c1-14(2)12-26-18-8-4-7-16(10-18)21(25)27-13-17-11-19(24)23-9-5-6-15(3)20(23)22-17/h4-11,14H,12-13H2,1-3H3