(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 2,6-dimethylquinoline-4-carboxylate

Systemtic Name: (4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 2,6-dimethylquinoline-4-carboxylate Openeye Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid (4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic acid (4-ketopyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC3=CC(=O)N4C=CC=CC4=N3)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC3=CC(=O)N4C=CC=CC4=N3)C

InChI

InChI=1S/C21H17N3O3/c1-13-6-7-18-16(9-13)17(10-14(2)22-18)21(26)27-12-15-11-20(25)24-8-4-3-5-19(24)23-15/h3-11H,12H2,1-2H3