[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H23N3O4/c1-14(2)20(25-21(27)18-7-5-4-6-15(18)3)22(28)29-13-19(26)24-17-10-8-16(12-23)9-11-17/h4-11,14,20H,13H2,1-3H3,(H,24,26)(H,25,27)/t20-/m0/s1