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

Systemtic Name: 4-[2-[(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]ethyl]benzoic acid CAS Name: 4-[2-[[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]ethyl]benzoic acid Traditional Name: 4-[2-[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]ethyl]benzoic acid Formula: C15H15BrN2O3 MolecularWeight: 351.1952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCC2=CC=C(C=C2)C(=O)O)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCC2=CC=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C15H15BrN2O3/c1-18-9-12(16)8-13(18)14(19)17-7-6-10-2-4-11(5-3-10)15(20)21/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,20,21)