5-(2-methylpropyl)-1-(phenylcarbonyl)-2H-pyrrole-5-carboxylic acid

Systemtic Name: 5-(2-methylpropyl)-1-(phenylcarbonyl)-2H-pyrrole-5-carboxylic acid Openeye Name: 1-benzoyl-5-isobutyl-2H-pyrrole-5-carboxylic acid CAS Name: 1-benzoyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxylic acid IUPAC Name: 1-benzoyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxylic acid Traditional Name: 1-benzoyl-2-isobutyl-3-pyrroline-2-carboxylic acid Formula: C16H19NO3 MolecularWeight: 273.32696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(C=CCN1C(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CC1(C=CCN1C(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H19NO3/c1-12(2)11-16(15(19)20)9-6-10-17(16)14(18)13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3,(H,19,20)