2-methoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]propanedioic acid

Systemtic Name: 2-methoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]propanedioic acid Openeye Name: 2-[(1-tert-butoxycarbonylindol-3-yl)methyl]-2-methoxy-propanedioic acid CAS Name: 2-methoxy-2-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-indolyl]methyl]propanedioic acid IUPAC Name: 2-methoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]propanedioic acid Traditional Name: 2-[(1-tert-butoxycarbonylindol-3-yl)methyl]-2-methoxy-malonic acid Formula: C18H21NO7 MolecularWeight: 363.36184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)O)(C(=O)O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)O)(C(=O)O)OC

InChI

InChI=1S/C18H21NO7/c1-17(2,3)26-16(24)19-10-11(12-7-5-6-8-13(12)19)9-18(25-4,14(20)21)15(22)23/h5-8,10H,9H2,1-4H3,(H,20,21)(H,22,23)