[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C(C(C)C)NC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C24H30N2O5/c1-5-19-13-9-10-17(4)22(19)25-20(27)15-30-23(28)21(16(2)3)26-24(29)31-14-18-11-7-6-8-12-18/h6-13,16,21H,5,14-15H2,1-4H3,(H,25,27)(H,26,29)/t21-/m0/s1