ethyl 4-acetyloxy-1-(4-methylphenyl)isoquinoline-3-carboxylate

Systemtic Name: ethyl 4-acetyloxy-1-(4-methylphenyl)isoquinoline-3-carboxylate Openeye Name: ethyl 4-acetoxy-1-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 4-acetyloxy-1-(4-methylphenyl)-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyloxy-1-(4-methylphenyl)isoquinoline-3-carboxylate Traditional Name: 4-acetoxy-1-(p-tolyl)isoquinoline-3-carboxylic acid ethyl ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C)OC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C)OC(=O)C

InChI

InChI=1S/C21H19NO4/c1-4-25-21(24)19-20(26-14(3)23)17-8-6-5-7-16(17)18(22-19)15-11-9-13(2)10-12-15/h5-12H,4H2,1-3H3