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

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic 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-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H23ClN2O5 MolecularWeight: 430.88142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C)OCC

InChI

InChI=1S/C22H23ClN2O5/c1-4-9-29-20-17(23)10-15(11-18(20)28-5-2)22(27)30-13-16-12-19(26)25-8-6-7-14(3)21(25)24-16/h6-8,10-12H,4-5,9,13H2,1-3H3