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

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-butoxy-3-methoxy-benzoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-butoxy-3-methoxy-benzoate CAS Name: 4-butoxy-3-methoxybenzoic 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-butoxy-3-methoxybenzoate Traditional Name: 4-butoxy-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:

CCCCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C)OC

InChI

InChI=1S/C22H24N2O5/c1-4-5-11-28-18-9-8-16(12-19(18)27-3)22(26)29-14-17-13-20(25)24-10-6-7-15(2)21(24)23-17/h6-10,12-13H,4-5,11,14H2,1-3H3