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

Systemtic Name: 3-[2-[1-[(4-cyanophenyl)amino]-2-methoxy-2-oxidanylidene-ethyl]-4,6-dimethoxy-phenyl]propanoic acid Openeye Name: 3-[2-[1-(4-cyanoanilino)-2-methoxy-2-oxo-ethyl]-4,6-dimethoxy-phenyl]propanoic acid CAS Name: 3-[2-[1-(4-cyanoanilino)-2-methoxy-2-oxoethyl]-4,6-dimethoxyphenyl]propanoic acid IUPAC Name: 3-[2-[1-(4-cyanoanilino)-2-methoxy-2-oxoethyl]-4,6-dimethoxyphenyl]propanoic acid Traditional Name: 3-[2-[1-(4-cyanoanilino)-2-keto-2-methoxy-ethyl]-4,6-dimethoxy-phenyl]propionic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-27-15-10-17(16(8-9-19(24)25)18(11-15)28-2)20(21(26)29-3)23-14-6-4-13(12-22)5-7-14/h4-7,10-11,20,23H,8-9H2,1-3H3,(H,24,25)