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

Systemtic Name: 2-[3-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonylamino]propylcarbamoyl]benzoic acid Openeye Name: 2-[3-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]propylcarbamoyl]benzoic acid CAS Name: 2-[oxo-[3-[[oxo-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]amino]propylamino]methyl]benzoic acid IUPAC Name: 2-[3-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]propylcarbamoyl]benzoic acid Traditional Name: 2-[3-[(2,2,5,5-tetramethyl-3-pyrroline-3-carbonyl)amino]propylcarbamoyl]benzoic acid Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4/c1-19(2)12-15(20(3,4)23-19)17(25)22-11-7-10-21-16(24)13-8-5-6-9-14(13)18(26)27/h5-6,8-9,12,23H,7,10-11H2,1-4H3,(H,21,24)(H,22,25)(H,26,27)