(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-ethoxyphenoxy)butanoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-ethoxyphenoxy)butanoate Openeye Name: (7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-ethoxyphenoxy)butanoate CAS Name: 4-(2-ethoxyphenoxy)butanoic acid (7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-ethoxyphenoxy)butanoate Traditional Name: 4-(2-ethoxyphenoxy)butyric acid (7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl

InChI

InChI=1S/C21H21ClN2O5/c1-2-27-17-6-3-4-7-18(17)28-11-5-8-21(26)29-14-16-12-20(25)24-13-15(22)9-10-19(24)23-16/h3-4,6-7,9-10,12-13H,2,5,8,11,14H2,1H3