[2-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-3-ethynyl-5-morpholin-4-yl-phenyl]carbamic acid

Systemtic Name: [2-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-3-ethynyl-5-morpholin-4-yl-phenyl]carbamic acid Openeye Name: [2-[[3-(3-cyanophenyl)-3-oxo-propanoyl]amino]-3-ethynyl-5-morpholino-phenyl]carbamic acid CAS Name: [2-[[3-(3-cyanophenyl)-1,3-dioxopropyl]amino]-3-ethynyl-5-(4-morpholinyl)phenyl]carbamic acid IUPAC Name: [2-[[3-(3-cyanophenyl)-3-oxopropanoyl]amino]-3-ethynyl-5-morpholin-4-ylphenyl]carbamic acid Traditional Name: [2-[[3-(3-cyanophenyl)-3-keto-propanoyl]amino]-3-ethynyl-5-morpholino-phenyl]carbamic acid Formula: C23H20N4O5 MolecularWeight: 432.4287

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC(=C1NC(=O)CC(=O)C2=CC=CC(=C2)C#N)NC(=O)O)N3CCOCC3

Isomeric SMILES

C#CC1=CC(=CC(=C1NC(=O)CC(=O)C2=CC=CC(=C2)C#N)NC(=O)O)N3CCOCC3

InChI

InChI=1S/C23H20N4O5/c1-2-16-11-18(27-6-8-32-9-7-27)12-19(25-23(30)31)22(16)26-21(29)13-20(28)17-5-3-4-15(10-17)14-24/h1,3-5,10-12,25H,6-9,13H2,(H,26,29)(H,30,31)