[(1E)-7-acetyloxy-2-ethanoyl-1-(phenylmethylidene)-3,4-dihydroisoquinolin-6-yl] ethanoate

Systemtic Name: [(1E)-7-acetyloxy-2-ethanoyl-1-(phenylmethylidene)-3,4-dihydroisoquinolin-6-yl] ethanoate Openeye Name: [(1E)-7-acetoxy-2-acetyl-1-benzylidene-3,4-dihydroisoquinolin-6-yl] acetate CAS Name: acetic acid [(1E)-2-acetyl-7-acetyloxy-1-(phenylmethylene)-3,4-dihydroisoquinolin-6-yl] ester IUPAC Name: [(1E)-2-acetyl-7-acetyloxy-1-benzylidene-3,4-dihydroisoquinolin-6-yl] acetate Traditional Name: acetic acid [(1E)-7-acetoxy-2-acetyl-1-benzal-3,4-dihydroisoquinolin-6-yl] ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=C(C=C2C1=CC3=CC=CC=C3)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N\1CCC2=CC(=C(C=C2/C1=C\C3=CC=CC=C3)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H21NO5/c1-14(24)23-10-9-18-12-21(27-15(2)25)22(28-16(3)26)13-19(18)20(23)11-17-7-5-4-6-8-17/h4-8,11-13H,9-10H2,1-3H3/b20-11+