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

Systemtic Name: 3-[[4-[2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[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(=CC(=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3)C(=O)O

InChI

InChI=1S/C23H18N2O5/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/h1-12H,14-15H2,(H,25,26)(H,27,28)