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

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(3-methylbutoxy)benzoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-isopentyloxybenzoate CAS Name: 4-(3-methylbutoxy)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 4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxybenzoic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-15(2)10-12-27-19-8-6-17(7-9-19)22(26)28-14-18-13-20(25)24-11-4-5-16(3)21(24)23-18/h4-9,11,13,15H,10,12,14H2,1-3H3