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

Systemtic Name: 4-[3-[1-[(4-cyanophenyl)amino]-2-ethoxy-2-oxidanylidene-ethyl]-5-ethoxy-2-fluoranyl-phenoxy]piperidine-1-carboxylic acid Openeye Name: 4-[3-[1-(4-cyanoanilino)-2-ethoxy-2-oxo-ethyl]-5-ethoxy-2-fluoro-phenoxy]piperidine-1-carboxylic acid CAS Name: 4-[3-[1-(4-cyanoanilino)-2-ethoxy-2-oxoethyl]-5-ethoxy-2-fluorophenoxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[3-[1-(4-cyanoanilino)-2-ethoxy-2-oxoethyl]-5-ethoxy-2-fluorophenoxy]piperidine-1-carboxylic acid Traditional Name: 4-[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)OC3CCN(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC(=C(C(=C1)C(C(=O)OCC)NC2=CC=C(C=C2)C#N)F)OC3CCN(CC3)C(=O)O

InChI

InChI=1S/C25H28FN3O6/c1-3-33-19-13-20(22(26)21(14-19)35-18-9-11-29(12-10-18)25(31)32)23(24(30)34-4-2)28-17-7-5-16(15-27)6-8-17/h5-8,13-14,18,23,28H,3-4,9-12H2,1-2H3,(H,31,32)