1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: 1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: 1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(4-tert-butylphenyl)-2,5-dimethyl-3-pyrrolecarboxylate IUPAC Name: 1-(4-tert-butylphenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrole-3-carboxylate Formula: C17H20NO2- MolecularWeight: 270.3462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)(C)C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)(C)C)C)C(=O)[O-]

InChI

InChI=1S/C17H21NO2/c1-11-10-15(16(19)20)12(2)18(11)14-8-6-13(7-9-14)17(3,4)5/h6-10H,1-5H3,(H,19,20)/p-1