(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-methylpropyl)benzoate

Systemtic Name: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-methylpropyl)benzoate Openeye Name: (6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-isobutylbenzoate CAS Name: 4-(2-methylpropyl)benzoic acid (6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-methylpropyl)benzoate Traditional Name: 4-isobutylbenzoic acid (4-keto-6-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C21H22N2O3/c1-14(2)11-16-7-9-17(10-8-16)21(25)26-13-18-12-20(24)23-15(3)5-4-6-19(23)22-18/h4-10,12,14H,11,13H2,1-3H3