3-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-methyl-propanoic acid

Systemtic Name: 3-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-methyl-propanoic acid Openeye Name: 3-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-methyl-propanoic acid CAS Name: 3-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-methylpropanoic acid IUPAC Name: 3-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-methylpropanoic acid Traditional Name: 3-(5-carbomethoxy-2,4-dimethyl-1H-pyrrol-3-yl)-2-methyl-propionic acid Formula: C12H17NO4 MolecularWeight: 239.26768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CC(C)C(=O)O)C)C(=O)OC

Isomeric SMILES

CC1=C(NC(=C1CC(C)C(=O)O)C)C(=O)OC

InChI

InChI=1S/C12H17NO4/c1-6(11(14)15)5-9-7(2)10(12(16)17-4)13-8(9)3/h6,13H,5H2,1-4H3,(H,14,15)