[4-(4-cyanophenyl)phenyl] (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [4-(4-cyanophenyl)phenyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid [4-(4-cyanophenyl)phenyl] ester Formula: C25H21FN2O3 MolecularWeight: 416.444243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C#N)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)[C@@H](C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C#N)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C25H21FN2O3/c1-16(2)23(28-24(29)21-5-3-4-6-22(21)26)25(30)31-20-13-11-19(12-14-20)18-9-7-17(15-27)8-10-18/h3-14,16,23H,1-2H3,(H,28,29)/t23-/m0/s1