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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

InChI

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