[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C23H27NO5 MolecularWeight: 397.46418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C(C(C)C)NC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C(C(C)C)NC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C23H27NO5/c1-15(2)21(24-23(27)29-13-18-8-6-5-7-9-18)22(26)28-14-20(25)19-11-10-16(3)17(4)12-19/h5-12,15,21H,13-14H2,1-4H3,(H,24,27)