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

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C23H23NO6 MolecularWeight: 409.43182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)OCC(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C23H23NO6/c1-15(25)24-11-10-16-6-4-5-7-18(16)20(24)13-23(27)30-14-21(26)19-12-17(28-2)8-9-22(19)29-3/h4-12,20H,13-14H2,1-3H3/t20-/m0/s1