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

Systemtic Name: (7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzamido-3-phenyl-propanoate Openeye Name: (7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzamido-3-phenyl-propanoate CAS Name: 2-benzamido-3-phenylpropanoic 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 2-benzamido-3-phenylpropanoate Traditional Name: 2-benzamido-3-phenyl-propionic acid (7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C25H20ClN3O4 MolecularWeight: 461.897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H20ClN3O4/c26-19-11-12-22-27-20(14-23(30)29(22)15-19)16-33-25(32)21(13-17-7-3-1-4-8-17)28-24(31)18-9-5-2-6-10-18/h1-12,14-15,21H,13,16H2,(H,28,31)