5-(2,4-dimethylphenyl)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-(2,4-dimethylphenyl)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-5-(2,4-dimethylphenyl)-5-oxo-pentanoic acid CAS Name: 5-(2,4-dimethylphenyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-(2,4-dimethylphenyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-5-(2,4-dimethylphenyl)-5-keto-valeric acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5/c1-14-8-9-17(15(2)12-14)19(23)11-10-18(20(24)25)22-21(26)27-13-16-6-4-3-5-7-16/h3-9,12,18H,10-11,13H2,1-2H3,(H,22,26)(H,24,25)