ethyl 2-[3-(hydroxymethyl)-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinolin-2-yl]ethanoate

Systemtic Name: ethyl 2-[3-(hydroxymethyl)-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinolin-2-yl]ethanoate Openeye Name: ethyl 2-[3-(hydroxymethyl)-6,7-dimethyl-1-oxo-4-phenyl-2-isoquinolyl]acetate CAS Name: 2-[3-(hydroxymethyl)-6,7-dimethyl-1-oxo-4-phenyl-2-isoquinolinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(hydroxymethyl)-6,7-dimethyl-1-oxo-4-phenylisoquinolin-2-yl]acetate Traditional Name: 2-(1-keto-6,7-dimethyl-3-methylol-4-phenyl-2-isoquinolyl)acetic acid ethyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C2=CC(=C(C=C2C1=O)C)C)C3=CC=CC=C3)CO

Isomeric SMILES

CCOC(=O)CN1C(=C(C2=CC(=C(C=C2C1=O)C)C)C3=CC=CC=C3)CO

InChI

InChI=1S/C22H23NO4/c1-4-27-20(25)12-23-19(13-24)21(16-8-6-5-7-9-16)17-10-14(2)15(3)11-18(17)22(23)26/h5-11,24H,4,12-13H2,1-3H3