2-[(4-cyanophenyl)amino]-2-[3-ethoxy-5-(pyrrolidin-1-ylmethyl)phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-ethoxy-5-(pyrrolidin-1-ylmethyl)phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(pyrrolidin-1-ylmethyl)phenyl]acetic acid CAS Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(1-pyrrolidinylmethyl)phenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(pyrrolidin-1-ylmethyl)phenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(pyrrolidinomethyl)phenyl]acetic acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)CN3CCCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)CN3CCCC3

InChI

InChI=1S/C22H25N3O3/c1-2-28-20-12-17(15-25-9-3-4-10-25)11-18(13-20)21(22(26)27)24-19-7-5-16(14-23)6-8-19/h5-8,11-13,21,24H,2-4,9-10,15H2,1H3,(H,26,27)