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

Systemtic Name: 5-(2,4-dimethoxyphenyl)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-5-(2,4-dimethoxyphenyl)-5-oxo-pentanoic acid CAS Name: 5-(2,4-dimethoxyphenyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-(2,4-dimethoxyphenyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-5-(2,4-dimethoxyphenyl)-5-keto-valeric acid Formula: C21H23NO7 MolecularWeight: 401.40982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H23NO7/c1-27-15-8-9-16(19(12-15)28-2)18(23)11-10-17(20(24)25)22-21(26)29-13-14-6-4-3-5-7-14/h3-9,12,17H,10-11,13H2,1-2H3,(H,22,26)(H,24,25)