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

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[5-ethoxy-2-fluoranyl-3-(oxolan-3-yloxy)phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-(5-ethoxy-2-fluoro-3-tetrahydrofuran-3-yloxy-phenyl)acetic acid CAS Name: 2-(4-cyanoanilino)-2-[5-ethoxy-2-fluoro-3-(3-oxolanyloxy)phenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[5-ethoxy-2-fluoro-3-(oxolan-3-yloxy)phenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-(5-ethoxy-2-fluoro-3-tetrahydrofuran-3-yloxy-phenyl)acetic acid Formula: C21H21FN2O5 MolecularWeight: 400.400243

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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)OC3CCOC3

Isomeric SMILES

CCOC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)F)OC3CCOC3

InChI

InChI=1S/C21H21FN2O5/c1-2-28-16-9-17(19(22)18(10-16)29-15-7-8-27-12-15)20(21(25)26)24-14-5-3-13(11-23)4-6-14/h3-6,9-10,15,20,24H,2,7-8,12H2,1H3,(H,25,26)