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

Systemtic Name: 4-[[4-[(Z)-2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]-2-iodanyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[(Z)-2-cyano-3-morpholino-3-oxo-prop-1-enyl]-2-iodo-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[(Z)-2-cyano-3-(4-morpholinyl)-3-oxoprop-1-enyl]-2-iodophenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[(Z)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]-2-iodophenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[(Z)-2-cyano-3-keto-3-morpholino-prop-1-enyl]-2-iodo-phenoxy]methyl]benzoic acid Formula: C22H19IN2O5 MolecularWeight: 518.30113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1COCCN1C(=O)/C(=C\C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)I)/C#N

InChI

InChI=1S/C22H19IN2O5/c23-19-12-16(11-18(13-24)21(26)25-7-9-29-10-8-25)3-6-20(19)30-14-15-1-4-17(5-2-15)22(27)28/h1-6,11-12H,7-10,14H2,(H,27,28)/b18-11-