ethyl 2-ethanoyl-3-phenyl-1H-isoquinoline-4-carboxylate

Systemtic Name: ethyl 2-ethanoyl-3-phenyl-1H-isoquinoline-4-carboxylate Openeye Name: ethyl 2-acetyl-3-phenyl-1H-isoquinoline-4-carboxylate CAS Name: 2-acetyl-3-phenyl-1H-isoquinoline-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetyl-3-phenyl-1H-isoquinoline-4-carboxylate Traditional Name: 2-acetyl-3-phenyl-1H-isoquinoline-4-carboxylic acid ethyl ester Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(CC2=CC=CC=C21)C(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(CC2=CC=CC=C21)C(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO3/c1-3-24-20(23)18-17-12-8-7-11-16(17)13-21(14(2)22)19(18)15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3