1-[6-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-1-yl]-6-oxidanylidene-hexanoyl]pyrrole-2-carboxylic acid

Systemtic Name: 1-[6-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-1-yl]-6-oxidanylidene-hexanoyl]pyrrole-2-carboxylic acid Openeye Name: 1-[6-(2-tert-butoxycarbonylpyrrol-1-yl)-6-oxo-hexanoyl]pyrrole-2-carboxylic acid CAS Name: 1-[6-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-pyrrolyl]-1,6-dioxohexyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[6-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-1-yl]-6-oxohexanoyl]pyrrole-2-carboxylic acid Traditional Name: 1-[6-(2-tert-butoxycarbonylpyrrol-1-yl)-6-keto-hexanoyl]pyrrole-2-carboxylic acid Formula: C20H24N2O6 MolecularWeight: 388.41436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CN1C(=O)CCCCC(=O)N2C=CC=C2C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CN1C(=O)CCCCC(=O)N2C=CC=C2C(=O)O

InChI

InChI=1S/C20H24N2O6/c1-20(2,3)28-19(27)15-9-7-13-22(15)17(24)11-5-4-10-16(23)21-12-6-8-14(21)18(25)26/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,25,26)