(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-phenylquinoline-4-carboxylate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-phenylquinoline-4-carboxylate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic 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 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C25H16BrN3O3 MolecularWeight: 486.31684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC(=O)N5C=C(C=CC5=N4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC(=O)N5C=C(C=CC5=N4)Br

InChI

InChI=1S/C25H16BrN3O3/c26-17-10-11-23-27-18(12-24(30)29(23)14-17)15-32-25(31)20-13-22(16-6-2-1-3-7-16)28-21-9-5-4-8-19(20)21/h1-14H,15H2