2-[(4-cyanophenyl)amino]-2-[3-ethyl-5-(2-oxidanylcyclopentyl)oxy-phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-ethyl-5-(2-oxidanylcyclopentyl)oxy-phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-(2-hydroxycyclopentoxy)phenyl]acetic acid CAS Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-(2-hydroxycyclopentyl)oxyphenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-(2-hydroxycyclopentyl)oxyphenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-(2-hydroxycyclopentoxy)phenyl]acetic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OC2CCCC2O)C(C(=O)O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC(=CC(=C1)OC2CCCC2O)C(C(=O)O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H24N2O4/c1-2-14-10-16(12-18(11-14)28-20-5-3-4-19(20)25)21(22(26)27)24-17-8-6-15(13-23)7-9-17/h6-12,19-21,24-25H,2-5H2,1H3,(H,26,27)