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

Systemtic Name: methyl 3-[2-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[3-(4-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=C(C=C1)CCC(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

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

InChI

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