tert-butyl 2-methyl-5-[[(E)-4-phenylbut-3-enoyl]oxymethyl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-methyl-5-[[(E)-4-phenylbut-3-enoyl]oxymethyl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-methyl-5-[[(E)-4-phenylbut-3-enoyl]oxymethyl]pyrrole-1-carboxylate CAS Name: 2-methyl-5-[[(E)-1-oxo-4-phenylbut-3-enoxy]methyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-5-[[(E)-4-phenylbut-3-enoyl]oxymethyl]pyrrole-1-carboxylate Traditional Name: 2-methyl-5-[[(E)-4-phenylbut-3-enoyl]oxymethyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C(=O)OC(C)(C)C)COC(=O)CC=CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(N1C(=O)OC(C)(C)C)COC(=O)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H25NO4/c1-16-13-14-18(22(16)20(24)26-21(2,3)4)15-25-19(23)12-8-11-17-9-6-5-7-10-17/h5-11,13-14H,12,15H2,1-4H3/b11-8+