5-(2-methoxy-4-methyl-phenyl)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-(2-methoxy-4-methyl-phenyl)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-5-(2-methoxy-4-methyl-phenyl)-5-oxo-pentanoic acid CAS Name: 5-(2-methoxy-4-methylphenyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-(2-methoxy-4-methylphenyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-5-keto-5-(2-methoxy-4-methyl-phenyl)valeric acid Formula: C21H23NO6 MolecularWeight: 385.41042

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6/c1-14-8-9-16(19(12-14)27-2)18(23)11-10-17(20(24)25)22-21(26)28-13-15-6-4-3-5-7-15/h3-9,12,17H,10-11,13H2,1-2H3,(H,22,26)(H,24,25)