4-[[3,4,5-tri(propan-2-yl)-1H-pyrrol-2-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3,4,5-tri(propan-2-yl)-1H-pyrrol-2-yl]carbonylamino]benzoic acid Openeye Name: 4-[(3,4,5-triisopropyl-1H-pyrrole-2-carbonyl)amino]benzoic acid CAS Name: 4-[[oxo-[3,4,5-tri(propan-2-yl)-1H-pyrrol-2-yl]methyl]amino]benzoic acid IUPAC Name: 4-[[3,4,5-tri(propan-2-yl)-1H-pyrrole-2-carbonyl]amino]benzoic acid Traditional Name: 4-[(3,4,5-triisopropyl-1H-pyrrole-2-carbonyl)amino]benzoic acid Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(NC(=C1C(C)C)C(=O)NC2=CC=C(C=C2)C(=O)O)C(C)C

Isomeric SMILES

CC(C)C1=C(NC(=C1C(C)C)C(=O)NC2=CC=C(C=C2)C(=O)O)C(C)C

InChI

InChI=1S/C21H28N2O3/c1-11(2)16-17(12(3)4)19(23-18(16)13(5)6)20(24)22-15-9-7-14(8-10-15)21(25)26/h7-13,23H,1-6H3,(H,22,24)(H,25,26)