(2,5-dimethylphenyl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: (2,5-dimethylphenyl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: (2,5-dimethylphenyl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(phenylcarbamoylamino)butyric acid (2,5-dimethylbenzyl) ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)C(C(C)C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)[C@H](C(C)C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3/c1-14(2)19(23-21(25)22-18-8-6-5-7-9-18)20(24)26-13-17-12-15(3)10-11-16(17)4/h5-12,14,19H,13H2,1-4H3,(H2,22,23,25)/t19-/m0/s1