(phenylmethyl) 4-tert-butyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-tert-butyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-tert-butyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-tert-butyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-tert-butyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-tert-butyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C18H23NO2 MolecularWeight: 285.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(C)(C)C)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(C)(C)C)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H23NO2/c1-12-15(18(3,4)5)13(2)19-16(12)17(20)21-11-14-9-7-6-8-10-14/h6-10,19H,11H2,1-5H3