[cyano-(4-fluoranyl-3-phenoxy-phenyl)methyl] 2-[(4-fluorophenyl)amino]-3-methyl-butanoate

Systemtic Name: [cyano-(4-fluoranyl-3-phenoxy-phenyl)methyl] 2-[(4-fluorophenyl)amino]-3-methyl-butanoate Openeye Name: [cyano-(4-fluoro-3-phenoxy-phenyl)methyl] 2-(4-fluoroanilino)-3-methyl-butanoate CAS Name: 2-(4-fluoroanilino)-3-methylbutanoic acid [cyano-(4-fluoro-3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(4-fluoro-3-phenoxyphenyl)methyl] 2-(4-fluoroanilino)-3-methylbutanoate Traditional Name: 2-(4-fluoroanilino)-3-methyl-butyric acid [cyano-(4-fluoro-3-phenoxy-phenyl)methyl] ester Formula: C25H22F2N2O3 MolecularWeight: 436.450586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C#N)C1=CC(=C(C=C1)F)OC2=CC=CC=C2)NC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C(C(=O)OC(C#N)C1=CC(=C(C=C1)F)OC2=CC=CC=C2)NC3=CC=C(C=C3)F

InChI

InChI=1S/C25H22F2N2O3/c1-16(2)24(29-19-11-9-18(26)10-12-19)25(30)32-23(15-28)17-8-13-21(27)22(14-17)31-20-6-4-3-5-7-20/h3-14,16,23-24,29H,1-2H3