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

Systemtic Name: 3-[[4-(2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl)phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-(2-cyano-3-morpholino-3-oxo-prop-1-enyl)phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[2-cyano-3-(4-morpholinyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-(2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl)phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-(2-cyano-3-keto-3-morpholino-prop-1-enyl)phenoxy]methyl]benzoic acid Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)C#N

Isomeric SMILES

C1COCCN1C(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)C#N

InChI

InChI=1S/C22H20N2O5/c23-14-19(21(25)24-8-10-28-11-9-24)12-16-4-6-20(7-5-16)29-15-17-2-1-3-18(13-17)22(26)27/h1-7,12-13H,8-11,15H2,(H,26,27)