methyl 3-[2-[3-[(3-cyanophenyl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(3-cyanophenyl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(3-cyanobenzoyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(3-cyanophenyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(3-cyanobenzoyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(3-cyanobenzoyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C24H16N2O3 MolecularWeight: 380.39544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C24H16N2O3/c1-29-24(28)21-9-2-5-17(13-21)11-12-18-6-4-10-22(15-18)26-23(27)20-8-3-7-19(14-20)16-25/h2-10,13-15H,1H3,(H,26,27)