methyl 1-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate

Systemtic Name: methyl 1-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate Openeye Name: methyl 1-(1-oxoisochromane-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate CAS Name: 1-[oxo-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 1-(1-oxo-3,4-dihydroisochromene-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate Traditional Name: 1-(1-ketoisochroman-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCCN(C2=CC=C1)C(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

COC(=O)C1=C2CCCN(C2=CC=C1)C(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H19NO5/c1-26-20(24)16-8-4-10-17-15(16)9-5-11-22(17)19(23)18-12-13-6-2-3-7-14(13)21(25)27-18/h2-4,6-8,10,18H,5,9,11-12H2,1H3