2-[(4-cyanophenyl)amino]-2-(5-ethoxy-2-fluoranyl-3-piperidin-3-yloxy-phenyl)ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-(5-ethoxy-2-fluoranyl-3-piperidin-3-yloxy-phenyl)ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-[5-ethoxy-2-fluoro-3-(3-piperidyloxy)phenyl]acetic acid CAS Name: 2-(4-cyanoanilino)-2-[5-ethoxy-2-fluoro-3-(3-piperidinyloxy)phenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-(5-ethoxy-2-fluoro-3-piperidin-3-yloxyphenyl)acetic acid Traditional Name: 2-(4-cyanoanilino)-2-[5-ethoxy-2-fluoro-3-(3-piperidyloxy)phenyl]acetic acid Formula: C22H24FN3O4 MolecularWeight: 413.442063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)F)OC3CCCNC3

Isomeric SMILES

CCOC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)F)OC3CCCNC3

InChI

InChI=1S/C22H24FN3O4/c1-2-29-17-10-18(20(23)19(11-17)30-16-4-3-9-25-13-16)21(22(27)28)26-15-7-5-14(12-24)6-8-15/h5-8,10-11,16,21,25-26H,2-4,9,13H2,1H3,(H,27,28)