methyl 3-[2-[3-(2,3-dihydro-1-benzofuran-2-ylcarbonylamino)phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-(2,3-dihydro-1-benzofuran-2-ylcarbonylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-(2,3-dihydrobenzofuran-2-carbonylamino)phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[2,3-dihydrobenzofuran-2-yl(oxo)methyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-(coumaran-2-carbonylamino)phenyl]ethynyl]benzoic acid methyl ester Formula: C25H19NO4 MolecularWeight: 397.42266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3CC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3CC4=CC=CC=C4O3

InChI

InChI=1S/C25H19NO4/c1-29-25(28)20-9-4-6-17(14-20)12-13-18-7-5-10-21(15-18)26-24(27)23-16-19-8-2-3-11-22(19)30-23/h2-11,14-15,23H,16H2,1H3,(H,26,27)