methyl 4-methyl-2-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonyloxymethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonyloxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(1-oxo-2H-isoquinoline-3-carbonyl)oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[oxo-(1-oxo-2H-isoquinolin-3-yl)methoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(1-oxo-2H-isoquinoline-3-carbonyl)oxymethyl]quinoline-3-carboxylate Traditional Name: 2-[(1-keto-2H-isoquinoline-3-carbonyl)oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C23H18N2O5 MolecularWeight: 402.39942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC4=CC=CC=C4C(=O)N3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC4=CC=CC=C4C(=O)N3)C(=O)OC

InChI

InChI=1S/C23H18N2O5/c1-13-15-8-5-6-10-17(15)24-19(20(13)23(28)29-2)12-30-22(27)18-11-14-7-3-4-9-16(14)21(26)25-18/h3-11H,12H2,1-2H3,(H,25,26)