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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-acetamido-3-(2-chlorophenyl)propanoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-acetamido-3-(2-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(2-chlorophenyl)propanoic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-acetamido-3-(2-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(2-chlorophenyl)propionic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H17BrClN3O4 MolecularWeight: 478.72368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC1=CC(=O)N2C=C(C=CC2=N1)Br)C3=CC=CC=C3Cl

Isomeric SMILES

CC(=O)NC(CC(=O)OCC1=CC(=O)N2C=C(C=CC2=N1)Br)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H17BrClN3O4/c1-12(26)23-17(15-4-2-3-5-16(15)22)9-20(28)29-11-14-8-19(27)25-10-13(21)6-7-18(25)24-14/h2-8,10,17H,9,11H2,1H3,(H,23,26)