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

Systemtic Name: methyl 3-[2-[3-[2-(4-methoxyphenyl)ethanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C25H21NO4/c1-29-23-13-11-20(12-14-23)17-24(27)26-22-8-4-6-19(16-22)10-9-18-5-3-7-21(15-18)25(28)30-2/h3-8,11-16H,17H2,1-2H3,(H,26,27)