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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C26H23NO4/c1-30-24-12-4-3-9-21(24)15-16-25(28)27-23-11-6-8-20(18-23)14-13-19-7-5-10-22(17-19)26(29)31-2/h3-12,17-18H,15-16H2,1-2H3,(H,27,28)