4-[[4-(2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl)-2-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-(2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl)-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-(2-cyano-3-morpholino-3-oxo-prop-1-enyl)-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[2-cyano-3-(4-morpholinyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-(2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl)-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-(2-cyano-3-keto-3-morpholino-prop-1-enyl)-2-methoxy-phenoxy]methyl]benzoic acid Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCOCC2)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCOCC2)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H22N2O6/c1-29-21-13-17(12-19(14-24)22(26)25-8-10-30-11-9-25)4-7-20(21)31-15-16-2-5-18(6-3-16)23(27)28/h2-7,12-13H,8-11,15H2,1H3,(H,27,28)