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

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(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-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5/c1-14(2)12-28-18-8-7-16(10-19(18)27-4)22(26)29-13-17-11-20(25)24-9-5-6-15(3)21(24)23-17/h5-11,14H,12-13H2,1-4H3