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

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-hexoxy-3-methoxy-benzoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-hexoxy-3-methoxy-benzoate CAS Name: 4-hexoxy-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-hexoxy-3-methoxybenzoate Traditional Name: 4-hexoxy-3-methoxy-benzoic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C24H28N2O5 MolecularWeight: 424.48952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C)OC

InChI

InChI=1S/C24H28N2O5/c1-4-5-6-7-13-30-20-11-10-18(14-21(20)29-3)24(28)31-16-19-15-22(27)26-12-8-9-17(2)23(26)25-19/h8-12,14-15H,4-7,13,16H2,1-3H3