3-[[4-[(E)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-[(E)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[(E)-2-cyano-3-oxo-3-(tetrahydrofuran-2-ylmethylamino)prop-1-enyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[(E)-2-cyano-3-oxo-3-(2-oxolanylmethylamino)prop-1-enyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[(E)-2-cyano-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-enyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[(E)-2-cyano-3-keto-3-(tetrahydrofurfurylamino)prop-1-enyl]phenoxy]methyl]benzoic acid Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)C#N

Isomeric SMILES

C1CC(OC1)CNC(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)/C#N

InChI

InChI=1S/C23H22N2O5/c24-13-19(22(26)25-14-21-5-2-10-29-21)11-16-6-8-20(9-7-16)30-15-17-3-1-4-18(12-17)23(27)28/h1,3-4,6-9,11-12,21H,2,5,10,14-15H2,(H,25,26)(H,27,28)/b19-11+