5-tert-butyl-2-methyl-1-phenyl-pyrrole-3-carboxylic acid

Systemtic Name: 5-tert-butyl-2-methyl-1-phenyl-pyrrole-3-carboxylic acid Openeye Name: 5-tert-butyl-2-methyl-1-phenyl-pyrrole-3-carboxylic acid CAS Name: 5-tert-butyl-2-methyl-1-phenyl-3-pyrrolecarboxylic acid IUPAC Name: 5-tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid Traditional Name: 5-tert-butyl-2-methyl-1-phenyl-pyrrole-3-carboxylic acid Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=CC=CC=C2)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1C2=CC=CC=C2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C16H19NO2/c1-11-13(15(18)19)10-14(16(2,3)4)17(11)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,18,19)