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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1C(=O)NCC2=CC=C(C=C2)C(=O)O)Br

Isomeric SMILES

CCN1C=C(C=C1C(=O)NCC2=CC=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C15H15BrN2O3/c1-2-18-9-12(16)7-13(18)14(19)17-8-10-3-5-11(6-4-10)15(20)21/h3-7,9H,2,8H2,1H3,(H,17,19)(H,20,21)