3-methyl-4-[(1-propylpyrrol-2-yl)carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(1-propylpyrrol-2-yl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-(1-propyl-2-pyrrolyl)methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid Traditional Name: 3-methyl-4-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC=C1C(=O)NC2=C(C=C(C=C2)C(=O)O)C

Isomeric SMILES

CCCN1C=CC=C1C(=O)NC2=C(C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C16H18N2O3/c1-3-8-18-9-4-5-14(18)15(19)17-13-7-6-12(16(20)21)10-11(13)2/h4-7,9-10H,3,8H2,1-2H3,(H,17,19)(H,20,21)