5-(1,3-dihydroisoindol-2-yloxy)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-(1,3-dihydroisoindol-2-yloxy)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-5-isoindolin-2-yloxy-4-oxo-pentanoic acid CAS Name: 5-(1,3-dihydroisoindol-2-yloxy)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-(1,3-dihydroisoindol-2-yloxy)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-5-isoindolin-2-yloxy-4-keto-valeric acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2CN1OCC(=O)C(CC(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C2=CC=CC=C2CN1OCC(=O)C(CC(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O6/c24-19(14-29-23-11-16-8-4-5-9-17(16)12-23)18(10-20(25)26)22-21(27)28-13-15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,22,27)(H,25,26)