3-[[2-chloranyl-4-[2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-6-ethoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[2-chloranyl-4-[2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-6-ethoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-chloro-4-[2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-6-ethoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[2-chloro-4-[2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-6-ethoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-chloro-4-[2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-6-ethoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[2-chloro-4-[2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-6-ethoxy-phenoxy]methyl]benzoic acid Formula: C25H21ClN2O6 MolecularWeight: 480.89704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)Cl)OCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)Cl)OCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C25H21ClN2O6/c1-2-32-22-12-17(10-19(13-27)24(29)28-14-20-7-4-8-33-20)11-21(26)23(22)34-15-16-5-3-6-18(9-16)25(30)31/h3-12H,2,14-15H2,1H3,(H,28,29)(H,30,31)