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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-acetamido-3-phenyl-propanoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-acetamido-3-phenyl-propanoate CAS Name: 3-acetamido-3-phenylpropanoic 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-phenylpropanoate Traditional Name: 3-acetamido-3-phenyl-propionic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O4/c1-13(25)22-17(14-5-3-2-4-6-14)10-20(27)28-12-16-9-19(26)24-11-15(21)7-8-18(24)23-16/h2-9,11,17H,10,12H2,1H3,(H,22,25)