methyl 3-[2-[3-[(2,4-dimethoxyphenyl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(2,4-dimethoxyphenyl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(2,4-dimethoxybenzoyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(2,4-dimethoxyphenyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(2,4-dimethoxybenzoyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(2,4-dimethoxybenzoyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C25H21NO5 MolecularWeight: 415.43794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO5/c1-29-21-12-13-22(23(16-21)30-2)24(27)26-20-9-5-7-18(15-20)11-10-17-6-4-8-19(14-17)25(28)31-3/h4-9,12-16H,1-3H3,(H,26,27)