2-[(4-cyanophenyl)amino]-2-[5-ethyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)-3-propyl-phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[5-ethyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)-3-propyl-phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-[5-ethyl-2-(2-oxo-2-pyrrolidin-1-yl-ethoxy)-3-propyl-phenyl]acetic acid CAS Name: 2-(4-cyanoanilino)-2-[5-ethyl-2-[2-oxo-2-(1-pyrrolidinyl)ethoxy]-3-propylphenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[5-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)-3-propylphenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-[5-ethyl-2-(2-keto-2-pyrrolidino-ethoxy)-3-propyl-phenyl]acetic acid Formula: C26H31N3O4 MolecularWeight: 449.54204

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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)OCC(=O)N3CCCC3

Isomeric SMILES

CCCC1=C(C(=CC(=C1)CC)C(C(=O)O)NC2=CC=C(C=C2)C#N)OCC(=O)N3CCCC3

InChI

InChI=1S/C26H31N3O4/c1-3-7-20-14-18(4-2)15-22(25(20)33-17-23(30)29-12-5-6-13-29)24(26(31)32)28-21-10-8-19(16-27)9-11-21/h8-11,14-15,24,28H,3-7,12-13,17H2,1-2H3,(H,31,32)