[(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2R,3S)-3-methyl-2-phenyl-pentanoate

Systemtic Name: [(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2R,3S)-3-methyl-2-phenyl-pentanoate Openeye Name: [(1S)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] (2R,3S)-3-methyl-2-phenyl-pentanoate CAS Name: (2R,3S)-3-methyl-2-phenylpentanoic acid [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] (2R,3S)-3-methyl-2-phenylpentanoate Traditional Name: (2R,3S)-3-methyl-2-phenyl-valeric acid [(1S)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC[C@H](C)[C@H](C1=CC=CC=C1)C(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H24N2O3/c1-4-15(2)20(18-8-6-5-7-9-18)22(26)27-16(3)21(25)24-19-12-10-17(14-23)11-13-19/h5-13,15-16,20H,4H2,1-3H3,(H,24,25)/t15-,16-,20+/m0/s1