4-[2-[(4-ethanoyl-1-methyl-pyrrol-2-yl)carbonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(4-ethanoyl-1-methyl-pyrrol-2-yl)carbonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[(4-acetyl-1-methyl-pyrrole-2-carbonyl)amino]ethyl]benzoic acid CAS Name: 4-[2-[[(4-acetyl-1-methyl-2-pyrrolyl)-oxomethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]benzoic acid Traditional Name: 4-[2-[(4-acetyl-1-methyl-pyrrole-2-carbonyl)amino]ethyl]benzoic acid Formula: C17H18N2O4 MolecularWeight: 314.33582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)NCCC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)NCCC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C17H18N2O4/c1-11(20)14-9-15(19(2)10-14)16(21)18-8-7-12-3-5-13(6-4-12)17(22)23/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,22,23)