3-[2-[1-[(4-cyanophenyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-4,6-dimethoxy-phenyl]propanoic acid

Systemtic Name: 3-[2-[1-[(4-cyanophenyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-4,6-dimethoxy-phenyl]propanoic acid Openeye Name: 3-[2-[1-(4-cyanoanilino)-2-hydroxy-2-oxo-ethyl]-4,6-dimethoxy-phenyl]propanoic acid CAS Name: 3-[2-[1-(4-cyanoanilino)-2-hydroxy-2-oxoethyl]-4,6-dimethoxyphenyl]propanoic acid IUPAC Name: 3-[2-[1-(4-cyanoanilino)-2-hydroxy-2-oxoethyl]-4,6-dimethoxyphenyl]propanoic acid Traditional Name: 3-[2-[1-(4-cyanoanilino)-2-hydroxy-2-keto-ethyl]-4,6-dimethoxy-phenyl]propionic acid Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)CCC(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)CCC(=O)O)OC

InChI

InChI=1S/C20H20N2O6/c1-27-14-9-16(15(7-8-18(23)24)17(10-14)28-2)19(20(25)26)22-13-5-3-12(11-21)4-6-13/h3-6,9-10,19,22H,7-8H2,1-2H3,(H,23,24)(H,25,26)