(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-chloranyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-chloranyl-5-methoxy-4-propoxy-benzoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-chloro-5-methoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propoxybenzoic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-chloro-5-methoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-methoxy-4-propoxy-benzoic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)C)OC

InChI

InChI=1S/C21H21ClN2O5/c1-4-7-28-20-16(22)8-14(9-17(20)27-3)21(26)29-12-15-10-19(25)24-11-13(2)5-6-18(24)23-15/h5-6,8-11H,4,7,12H2,1-3H3