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

Systemtic Name: ethyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]benzoate CAS Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzoate Traditional Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]benzoic acid ethyl ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H21NO4/c1-2-24-20(23)16-8-5-9-18(12-16)25-14-19(22)21-11-10-15-6-3-4-7-17(15)13-21/h3-9,12H,2,10-11,13-14H2,1H3