methyl 3-[2-[3-[2-(4-methylphenyl)ethanoylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[2-(4-methylphenyl)ethanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[[2-(p-tolyl)acetyl]amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[2-(4-methylphenyl)-1-oxoethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[[2-(4-methylphenyl)acetyl]amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[2-(p-tolyl)acetyl]amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C25H21NO3 MolecularWeight: 383.43914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C25H21NO3/c1-18-9-11-21(12-10-18)17-24(27)26-23-8-4-6-20(16-23)14-13-19-5-3-7-22(15-19)25(28)29-2/h3-12,15-16H,17H2,1-2H3,(H,26,27)