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

Systemtic Name: 4-[[2-[2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]phenoxy]methyl]benzoic acid Formula: C23H18N2O5 MolecularWeight: 402.39942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H18N2O5/c24-13-19(22(26)25-14-20-5-3-11-29-20)12-18-4-1-2-6-21(18)30-15-16-7-9-17(10-8-16)23(27)28/h1-12H,14-15H2,(H,25,26)(H,27,28)