methyl 3-[2-[3-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[1-oxo-2-[(2-oxo-1-benzopyran-7-yl)oxy]ethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[2-(2-ketochromen-7-yl)oxyacetyl]amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C27H19NO6 MolecularWeight: 453.44286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C27H19NO6/c1-32-27(31)21-6-2-4-18(14-21)8-9-19-5-3-7-22(15-19)28-25(29)17-33-23-12-10-20-11-13-26(30)34-24(20)16-23/h2-7,10-16H,17H2,1H3,(H,28,29)