methyl 9-[3-(hydroxymethyl)phenyl]-1-oxidanylidene-2H-benzo[h]isoquinoline-6-carboxylate

Systemtic Name: methyl 9-[3-(hydroxymethyl)phenyl]-1-oxidanylidene-2H-benzo[h]isoquinoline-6-carboxylate Openeye Name: methyl 9-[3-(hydroxymethyl)phenyl]-1-oxo-2H-benzo[h]isoquinoline-6-carboxylate CAS Name: 9-[3-(hydroxymethyl)phenyl]-1-oxo-2H-benzo[h]isoquinoline-6-carboxylic acid methyl ester IUPAC Name: methyl 9-[3-(hydroxymethyl)phenyl]-1-oxo-2H-benzo[h]isoquinoline-6-carboxylate Traditional Name: 1-keto-9-(3-methylolphenyl)-2H-benz[h]isoquinoline-6-carboxylic acid methyl ester Formula: C22H17NO4 MolecularWeight: 359.37468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC(=CC2=C3C(=C1)C=CNC3=O)C4=CC(=CC=C4)CO

Isomeric SMILES

COC(=O)C1=C2C=CC(=CC2=C3C(=C1)C=CNC3=O)C4=CC(=CC=C4)CO

InChI

InChI=1S/C22H17NO4/c1-27-22(26)19-11-16-7-8-23-21(25)20(16)18-10-15(5-6-17(18)19)14-4-2-3-13(9-14)12-24/h2-11,24H,12H2,1H3,(H,23,25)