[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C22H19NO6 MolecularWeight: 393.38936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H19NO6/c1-14(24)23-9-8-15-4-2-3-5-17(15)18(23)11-22(26)27-12-19(25)16-6-7-20-21(10-16)29-13-28-20/h2-10,18H,11-13H2,1H3