5-tert-butyl-1-methyl-4-phenyl-pyrrole-2-carboxylic acid

Systemtic Name: 5-tert-butyl-1-methyl-4-phenyl-pyrrole-2-carboxylic acid Openeye Name: 5-tert-butyl-1-methyl-4-phenyl-pyrrole-2-carboxylic acid CAS Name: 5-tert-butyl-1-methyl-4-phenyl-2-pyrrolecarboxylic acid IUPAC Name: 5-tert-butyl-1-methyl-4-phenylpyrrole-2-carboxylic acid Traditional Name: 5-tert-butyl-1-methyl-4-phenyl-pyrrole-2-carboxylic acid Formula: C16H19NO2 MolecularWeight: 257.32756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(N1C)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=C(C=C(N1C)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H19NO2/c1-16(2,3)14-12(11-8-6-5-7-9-11)10-13(15(18)19)17(14)4/h5-10H,1-4H3,(H,18,19)