ethyl 2-[(4-cyanophenyl)amino]-2-[5-ethoxy-2-fluoranyl-3-(1-methylpiperidin-4-yl)oxy-phenyl]ethanoate

Systemtic Name: ethyl 2-[(4-cyanophenyl)amino]-2-[5-ethoxy-2-fluoranyl-3-(1-methylpiperidin-4-yl)oxy-phenyl]ethanoate Openeye Name: ethyl 2-(4-cyanoanilino)-2-[5-ethoxy-2-fluoro-3-[(1-methyl-4-piperidyl)oxy]phenyl]acetate CAS Name: 2-(4-cyanoanilino)-2-[5-ethoxy-2-fluoro-3-[(1-methyl-4-piperidinyl)oxy]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-cyanoanilino)-2-[5-ethoxy-2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]acetate Traditional Name: 2-(4-cyanoanilino)-2-[5-ethoxy-2-fluoro-3-[(1-methyl-4-piperidyl)oxy]phenyl]acetic acid ethyl ester Formula: C25H30FN3O4 MolecularWeight: 455.521803

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H30FN3O4/c1-4-31-20-14-21(23(26)22(15-20)33-19-10-12-29(3)13-11-19)24(25(30)32-5-2)28-18-8-6-17(16-27)7-9-18/h6-9,14-15,19,24,28H,4-5,10-13H2,1-3H3