4-[[3,5-di(propan-2-yl)-1H-pyrrol-2-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3,5-di(propan-2-yl)-1H-pyrrol-2-yl]carbonylamino]benzoic acid Openeye Name: 4-[(3,5-diisopropyl-1H-pyrrole-2-carbonyl)amino]benzoic acid CAS Name: 4-[[[3,5-di(propan-2-yl)-1H-pyrrol-2-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3,5-di(propan-2-yl)-1H-pyrrole-2-carbonyl]amino]benzoic acid Traditional Name: 4-[(3,5-diisopropyl-1H-pyrrole-2-carbonyl)amino]benzoic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(N1)C(=O)NC2=CC=C(C=C2)C(=O)O)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(N1)C(=O)NC2=CC=C(C=C2)C(=O)O)C(C)C

InChI

InChI=1S/C18H22N2O3/c1-10(2)14-9-15(11(3)4)20-16(14)17(21)19-13-7-5-12(6-8-13)18(22)23/h5-11,20H,1-4H3,(H,19,21)(H,22,23)