(phenylmethyl) 5-(acetyloxymethyl)-4-tert-butyl-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 5-(acetyloxymethyl)-4-tert-butyl-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-(acetoxymethyl)-4-tert-butyl-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-(acetyloxymethyl)-4-tert-butyl-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(acetyloxymethyl)-4-tert-butyl-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-(acetoxymethyl)-4-tert-butyl-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4/c1-13-17(20(3,4)5)16(12-24-14(2)22)21-18(13)19(23)25-11-15-9-7-6-8-10-15/h6-10,21H,11-12H2,1-5H3