ethyl 4-bromanyl-1-[2-(4-methylphenyl)ethynyl]-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 4-bromanyl-1-[2-(4-methylphenyl)ethynyl]-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 4-bromo-1-[2-(p-tolyl)ethynyl]-1H-isoquinoline-2-carboxylate CAS Name: 4-bromo-1-[2-(4-methylphenyl)ethynyl]-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-1-[2-(4-methylphenyl)ethynyl]-1H-isoquinoline-2-carboxylate Traditional Name: 4-bromo-1-[2-(p-tolyl)ethynyl]-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C21H18BrNO2 MolecularWeight: 396.27712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=C(C2=CC=CC=C2C1C#CC3=CC=C(C=C3)C)Br

Isomeric SMILES

CCOC(=O)N1C=C(C2=CC=CC=C2C1C#CC3=CC=C(C=C3)C)Br

InChI

InChI=1S/C21H18BrNO2/c1-3-25-21(24)23-14-19(22)17-6-4-5-7-18(17)20(23)13-12-16-10-8-15(2)9-11-16/h4-11,14,20H,3H2,1-2H3