methyl 2-(4-methylphenyl)-7-oxidanyl-1-oxidanylidene-3,4-dihydroisoquinoline-3-carboxylate

Systemtic Name: methyl 2-(4-methylphenyl)-7-oxidanyl-1-oxidanylidene-3,4-dihydroisoquinoline-3-carboxylate Openeye Name: methyl 7-hydroxy-1-oxo-2-(p-tolyl)-3,4-dihydroisoquinoline-3-carboxylate CAS Name: 7-hydroxy-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 7-hydroxy-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-3-carboxylate Traditional Name: 7-hydroxy-1-keto-2-(p-tolyl)-3,4-dihydroisoquinoline-3-carboxylic acid methyl ester Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(CC3=C(C2=O)C=C(C=C3)O)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(CC3=C(C2=O)C=C(C=C3)O)C(=O)OC

InChI

InChI=1S/C18H17NO4/c1-11-3-6-13(7-4-11)19-16(18(22)23-2)9-12-5-8-14(20)10-15(12)17(19)21/h3-8,10,16,20H,9H2,1-2H3