methyl 3-[2-[3-[(2-morpholin-4-ylpyridin-3-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(2-morpholin-4-ylpyridin-3-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(2-morpholinopyridine-3-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[[2-(4-morpholinyl)-3-pyridinyl]-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(2-morpholinonicotinoyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=C(N=CC=C3)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=C(N=CC=C3)N4CCOCC4

InChI

InChI=1S/C26H23N3O4/c1-32-26(31)21-7-2-5-19(17-21)10-11-20-6-3-8-22(18-20)28-25(30)23-9-4-12-27-24(23)29-13-15-33-16-14-29/h2-9,12,17-18H,13-16H2,1H3,(H,28,30)