2-[2-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonylamino]ethylcarbamoyl]benzoic acid

Systemtic Name: 2-[2-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonylamino]ethylcarbamoyl]benzoic acid Openeye Name: 2-[2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]ethylcarbamoyl]benzoic acid CAS Name: 2-[oxo-[2-[[oxo-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]amino]ethylamino]methyl]benzoic acid IUPAC Name: 2-[2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]ethylcarbamoyl]benzoic acid Traditional Name: 2-[2-[(2,2,5,5-tetramethyl-3-pyrroline-3-carbonyl)amino]ethylcarbamoyl]benzoic acid Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C(N1)(C)C)C(=O)NCCNC(=O)C2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC1(C=C(C(N1)(C)C)C(=O)NCCNC(=O)C2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C19H25N3O4/c1-18(2)11-14(19(3,4)22-18)16(24)21-10-9-20-15(23)12-7-5-6-8-13(12)17(25)26/h5-8,11,22H,9-10H2,1-4H3,(H,20,23)(H,21,24)(H,25,26)