4-(4-tert-butylphenyl)carbonyl-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-(4-tert-butylphenyl)carbonyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-(4-tert-butylbenzoyl)-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[(4-tert-butylphenyl)-oxomethyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-(4-tert-butylbenzoyl)-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-(4-tert-butylbenzoyl)-1-methyl-pyrrole-2-carboxylic acid Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CN(C(=C2)C(=O)O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CN(C(=C2)C(=O)O)C

InChI

InChI=1S/C17H19NO3/c1-17(2,3)13-7-5-11(6-8-13)15(19)12-9-14(16(20)21)18(4)10-12/h5-10H,1-4H3,(H,20,21)