(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(2,5-dimethylphenoxy)propanoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(2,5-dimethylphenoxy)propanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(2,5-dimethylphenoxy)propanoate CAS Name: 3-(2,5-dimethylphenoxy)propanoic 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-(2,5-dimethylphenoxy)propanoate Traditional Name: 3-(2,5-dimethylphenoxy)propionic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)C

InChI

InChI=1S/C21H22N2O4/c1-14-4-6-16(3)18(10-14)26-9-8-21(25)27-13-17-11-20(24)23-12-15(2)5-7-19(23)22-17/h4-7,10-12H,8-9,13H2,1-3H3