ethyl 4-methyl-2-[(1-oxidanylideneisoquinolin-2-yl)methyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(1-oxidanylideneisoquinolin-2-yl)methyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(1-oxo-2-isoquinolyl)methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[(1-oxo-2-isoquinolinyl)methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate Traditional Name: 2-[(1-keto-2-isoquinolyl)methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C23H20N2O3 MolecularWeight: 372.4165

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3C=CC4=CC=CC=C4C3=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3C=CC4=CC=CC=C4C3=O)C

InChI

InChI=1S/C23H20N2O3/c1-3-28-23(27)21-15(2)17-9-6-7-11-19(17)24-20(21)14-25-13-12-16-8-4-5-10-18(16)22(25)26/h4-13H,3,14H2,1-2H3