[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=CC(=C1)C#N)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NC1=CC=CC(=C1)C#N)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H22N4O4/c1-14(2)19(25-21(28)24-16-8-4-3-5-9-16)20(27)29-13-18(26)23-17-10-6-7-15(11-17)12-22/h3-11,14,19H,13H2,1-2H3,(H,23,26)(H2,24,25,28)/t19-/m1/s1