methyl 3-[2-(3-aminophenyl)ethynyl]benzoate

Systemtic Name: methyl 3-[2-(3-aminophenyl)ethynyl]benzoate Openeye Name: methyl 3-[2-(3-aminophenyl)ethynyl]benzoate CAS Name: 3-[2-(3-aminophenyl)ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(3-aminophenyl)ethynyl]benzoate Traditional Name: 3-[2-(3-aminophenyl)ethynyl]benzoic acid methyl ester Formula: C16H13NO2 MolecularWeight: 251.27992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)N

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)N

InChI

InChI=1S/C16H13NO2/c1-19-16(18)14-6-2-4-12(10-14)8-9-13-5-3-7-15(17)11-13/h2-7,10-11H,17H2,1H3