2-[(4-cyanophenyl)amino]-2-[4,5-dimethoxy-2-(2-phenylmethoxyethoxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[4,5-dimethoxy-2-(2-phenylmethoxyethoxy)phenyl]ethanoic acid Openeye Name: 2-[2-(2-benzyloxyethoxy)-4,5-dimethoxy-phenyl]-2-(4-cyanoanilino)acetic acid CAS Name: 2-(4-cyanoanilino)-2-[4,5-dimethoxy-2-(2-phenylmethoxyethoxy)phenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[4,5-dimethoxy-2-(2-phenylmethoxyethoxy)phenyl]acetic acid Traditional Name: 2-[2-(2-benzoxyethoxy)-4,5-dimethoxy-phenyl]-2-(4-cyanoanilino)acetic acid Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)OCCOCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)OCCOCC3=CC=CC=C3)OC

InChI

InChI=1S/C26H26N2O6/c1-31-23-14-21(25(26(29)30)28-20-10-8-18(16-27)9-11-20)22(15-24(23)32-2)34-13-12-33-17-19-6-4-3-5-7-19/h3-11,14-15,25,28H,12-13,17H2,1-2H3,(H,29,30)