2-[(4-cyanophenyl)amino]-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-(3-ethoxy-4-isopentyloxy-phenyl)acetic acid CAS Name: 2-(4-cyanoanilino)-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-(3-ethoxy-4-isoamoxy-phenyl)acetic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4/c1-4-27-20-13-17(7-10-19(20)28-12-11-15(2)3)21(22(25)26)24-18-8-5-16(14-23)6-9-18/h5-10,13,15,21,24H,4,11-12H2,1-3H3,(H,25,26)