tert-butyl N-[4-[3-(4-cyanophenyl)propanoyl]-2,5-dimethyl-1,2-dihydropyrrol-5-yl]carbamate

Systemtic Name: tert-butyl N-[4-[3-(4-cyanophenyl)propanoyl]-2,5-dimethyl-1,2-dihydropyrrol-5-yl]carbamate Openeye Name: tert-butyl N-[4-[3-(4-cyanophenyl)propanoyl]-2,5-dimethyl-1,2-dihydropyrrol-5-yl]carbamate CAS Name: N-[4-[3-(4-cyanophenyl)-1-oxopropyl]-2,5-dimethyl-1,2-dihydropyrrol-5-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[3-(4-cyanophenyl)propanoyl]-2,5-dimethyl-1,2-dihydropyrrol-5-yl]carbamate Traditional Name: N-[3-[3-(4-cyanophenyl)propanoyl]-2,5-dimethyl-3-pyrrolin-2-yl]carbamic acid tert-butyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C(N1)(C)NC(=O)OC(C)(C)C)C(=O)CCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1C=C(C(N1)(C)NC(=O)OC(C)(C)C)C(=O)CCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H27N3O3/c1-14-12-17(21(5,23-14)24-19(26)27-20(2,3)4)18(25)11-10-15-6-8-16(13-22)9-7-15/h6-9,12,14,23H,10-11H2,1-5H3,(H,24,26)