2-[(4-cyanophenyl)amino]-2-[5-ethyl-2-(2-phenylmethoxyethoxy)-3-propyl-phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[5-ethyl-2-(2-phenylmethoxyethoxy)-3-propyl-phenyl]ethanoic acid Openeye Name: 2-[2-(2-benzyloxyethoxy)-5-ethyl-3-propyl-phenyl]-2-(4-cyanoanilino)acetic acid CAS Name: 2-(4-cyanoanilino)-2-[5-ethyl-2-(2-phenylmethoxyethoxy)-3-propylphenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[5-ethyl-2-(2-phenylmethoxyethoxy)-3-propylphenyl]acetic acid Traditional Name: 2-[2-(2-benzoxyethoxy)-5-ethyl-3-propyl-phenyl]-2-(4-cyanoanilino)acetic acid Formula: C29H32N2O4 MolecularWeight: 472.57538

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)CC)C(C(=O)O)NC2=CC=C(C=C2)C#N)OCCOCC3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C(=CC(=C1)CC)C(C(=O)O)NC2=CC=C(C=C2)C#N)OCCOCC3=CC=CC=C3

InChI

InChI=1S/C29H32N2O4/c1-3-8-24-17-21(4-2)18-26(27(29(32)33)31-25-13-11-22(19-30)12-14-25)28(24)35-16-15-34-20-23-9-6-5-7-10-23/h5-7,9-14,17-18,27,31H,3-4,8,15-16,20H2,1-2H3,(H,32,33)