[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-oxidanylidenechromene-2-carboxylate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-oxidanylidenechromene-2-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C21H17NO5 MolecularWeight: 363.36338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C21H17NO5/c23-17-11-19(27-18-8-4-3-7-16(17)18)21(25)26-13-20(24)22-10-9-14-5-1-2-6-15(14)12-22/h1-8,11H,9-10,12-13H2