methyl 3-[2-[3-[2-(4-methylphenoxy)propanoylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[2-(4-methylphenoxy)propanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[2-(4-methylphenoxy)propanoylamino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[2-(4-methylphenoxy)-1-oxopropyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[2-(4-methylphenoxy)propanoylamino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[2-(4-methylphenoxy)propanoylamino]phenyl]ethynyl]benzoic acid methyl ester Formula: C26H23NO4 MolecularWeight: 413.46512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23NO4/c1-18-10-14-24(15-11-18)31-19(2)25(28)27-23-9-5-7-21(17-23)13-12-20-6-4-8-22(16-20)26(29)30-3/h4-11,14-17,19H,1-3H3,(H,27,28)