tert-butyl 3,5-dimethyl-4-[2-(phenylcarbonyloxy)ethyl]-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 3,5-dimethyl-4-[2-(phenylcarbonyloxy)ethyl]-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 4-(2-benzoyloxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(2-benzoyloxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-benzoyloxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(2-benzoyloxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCOC(=O)C2=CC=CC=C2)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(NC(=C1CCOC(=O)C2=CC=CC=C2)C)C(=O)OC(C)(C)C

InChI

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