methyl 3-[2-[3-[2-(6-methyl-1-benzofuran-3-yl)ethanoylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[2-(6-methyl-1-benzofuran-3-yl)ethanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[[2-(6-methylbenzofuran-3-yl)acetyl]amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[2-(6-methyl-3-benzofuranyl)-1-oxoethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[2-(6-methylbenzofuran-3-yl)acetyl]amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C27H21NO4 MolecularWeight: 423.45994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC=CC(=C3)C#CC4=CC(=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC=CC(=C3)C#CC4=CC(=CC=C4)C(=O)OC

InChI

InChI=1S/C27H21NO4/c1-18-9-12-24-22(17-32-25(24)13-18)16-26(29)28-23-8-4-6-20(15-23)11-10-19-5-3-7-21(14-19)27(30)31-2/h3-9,12-15,17H,16H2,1-2H3,(H,28,29)