(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-acetamido-3-(4-methoxyphenyl)propanoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-acetamido-3-(4-methoxyphenyl)propanoate Openeye Name: (7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-acetamido-3-(4-methoxyphenyl)propanoate CAS Name: 3-acetamido-3-(4-methoxyphenyl)propanoic 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 3-acetamido-3-(4-methoxyphenyl)propanoate Traditional Name: 3-acetamido-3-(4-methoxyphenyl)propionic acid (7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H20ClN3O5 MolecularWeight: 429.8536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC1=CC(=O)N2C=C(C=CC2=N1)Cl)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)NC(CC(=O)OCC1=CC(=O)N2C=C(C=CC2=N1)Cl)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20ClN3O5/c1-13(26)23-18(14-3-6-17(29-2)7-4-14)10-21(28)30-12-16-9-20(27)25-11-15(22)5-8-19(25)24-16/h3-9,11,18H,10,12H2,1-2H3,(H,23,26)