2-(cyanomethyl)-3-(4-morpholin-4-ylphenyl)-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(cyanomethyl)-3-(4-morpholin-4-ylphenyl)-3-oxidanylidene-propanoic acid Openeye Name: 2-(cyanomethyl)-3-(4-morpholinophenyl)-3-oxo-propanoic acid CAS Name: 2-(cyanomethyl)-3-[4-(4-morpholinyl)phenyl]-3-oxopropanoic acid IUPAC Name: 2-(cyanomethyl)-3-(4-morpholin-4-ylphenyl)-3-oxopropanoic acid Traditional Name: 2-(cyanomethyl)-3-keto-3-(4-morpholinophenyl)propionic acid Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C(=O)C(CC#N)C(=O)O

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)C(=O)C(CC#N)C(=O)O

InChI

InChI=1S/C15H16N2O4/c16-6-5-13(15(19)20)14(18)11-1-3-12(4-2-11)17-7-9-21-10-8-17/h1-4,13H,5,7-10H2,(H,19,20)