4-[2-[(1,5-dimethylpyrrol-2-yl)carbonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(1,5-dimethylpyrrol-2-yl)carbonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[(1,5-dimethylpyrrole-2-carbonyl)amino]ethyl]benzoic acid CAS Name: 4-[2-[[(1,5-dimethyl-2-pyrrolyl)-oxomethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[(1,5-dimethylpyrrole-2-carbonyl)amino]ethyl]benzoic acid Traditional Name: 4-[2-[(1,5-dimethylpyrrole-2-carbonyl)amino]ethyl]benzoic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)C(=O)NCCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(N1C)C(=O)NCCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H18N2O3/c1-11-3-8-14(18(11)2)15(19)17-10-9-12-4-6-13(7-5-12)16(20)21/h3-8H,9-10H2,1-2H3,(H,17,19)(H,20,21)