(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C27H21N3O3 MolecularWeight: 435.47394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=CC=C5)C

InChI

InChI=1S/C27H21N3O3/c1-17-9-8-14-30-23(31)15-20(28-26(17)30)16-33-27(32)24-18(2)25(19-10-4-3-5-11-19)29-22-13-7-6-12-21(22)24/h3-15H,16H2,1-2H3