2-[(4-cyanophenyl)amino]-2-(3-methoxy-5-phenylmethoxy-phenyl)ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-(3-methoxy-5-phenylmethoxy-phenyl)ethanoic acid Openeye Name: 2-(3-benzyloxy-5-methoxy-phenyl)-2-(4-cyanoanilino)acetic acid CAS Name: 2-(4-cyanoanilino)-2-(3-methoxy-5-phenylmethoxyphenyl)acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-(3-methoxy-5-phenylmethoxyphenyl)acetic acid Traditional Name: 2-(3-benzoxy-5-methoxy-phenyl)-2-(4-cyanoanilino)acetic acid Formula: C23H20N2O4 MolecularWeight: 388.4159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)OCC3=CC=CC=C3

InChI

InChI=1S/C23H20N2O4/c1-28-20-11-18(12-21(13-20)29-15-17-5-3-2-4-6-17)22(23(26)27)25-19-9-7-16(14-24)8-10-19/h2-13,22,25H,15H2,1H3,(H,26,27)