4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindol-5-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindol-5-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-tert-butoxycarbonylisoindolin-5-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[[2-[(2-methylpropan-2-yl)oxy-oxomethyl]-1,3-dihydroisoindol-5-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindol-5-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[(2-tert-butoxycarbonylisoindolin-5-yl)amino]-4-keto-butyric acid Formula: C17H22N2O5 MolecularWeight: 334.36698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C17H22N2O5/c1-17(2,3)24-16(23)19-9-11-4-5-13(8-12(11)10-19)18-14(20)6-7-15(21)22/h4-5,8H,6-7,9-10H2,1-3H3,(H,18,20)(H,21,22)