3-[3-[1-[(4-cyanophenyl)amino]-2-ethoxy-2-oxidanylidene-ethyl]-5-ethoxy-2-fluoranyl-phenoxy]piperidine-1-carboxylic acid

Systemtic Name: 3-[3-[1-[(4-cyanophenyl)amino]-2-ethoxy-2-oxidanylidene-ethyl]-5-ethoxy-2-fluoranyl-phenoxy]piperidine-1-carboxylic acid Openeye Name: 3-[3-[1-(4-cyanoanilino)-2-ethoxy-2-oxo-ethyl]-5-ethoxy-2-fluoro-phenoxy]piperidine-1-carboxylic acid CAS Name: 3-[3-[1-(4-cyanoanilino)-2-ethoxy-2-oxoethyl]-5-ethoxy-2-fluorophenoxy]-1-piperidinecarboxylic acid IUPAC Name: 3-[3-[1-(4-cyanoanilino)-2-ethoxy-2-oxoethyl]-5-ethoxy-2-fluorophenoxy]piperidine-1-carboxylic acid Traditional Name: 3-[3-[1-(4-cyanoanilino)-2-ethoxy-2-keto-ethyl]-5-ethoxy-2-fluoro-phenoxy]piperidine-1-carboxylic acid Formula: C25H28FN3O6 MolecularWeight: 485.504723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=C1)C(C(=O)OCC)NC2=CC=C(C=C2)C#N)F)OC3CCCN(C3)C(=O)O

Isomeric SMILES

CCOC1=CC(=C(C(=C1)C(C(=O)OCC)NC2=CC=C(C=C2)C#N)F)OC3CCCN(C3)C(=O)O

InChI

InChI=1S/C25H28FN3O6/c1-3-33-19-12-20(22(26)21(13-19)35-18-6-5-11-29(15-18)25(31)32)23(24(30)34-4-2)28-17-9-7-16(14-27)8-10-17/h7-10,12-13,18,23,28H,3-6,11,15H2,1-2H3,(H,31,32)