tert-butyl 2-[4-(4-ethanoylphenyl)piperazin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[4-(4-ethanoylphenyl)piperazin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[4-(4-acetylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-(4-acetylphenyl)-1-piperazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(4-acetylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-(4-acetylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCCN3C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCCN3C(=O)OC(C)(C)C

InChI

InChI=1S/C22H31N3O4/c1-16(26)17-7-9-18(10-8-17)23-12-14-24(15-13-23)20(27)19-6-5-11-25(19)21(28)29-22(2,3)4/h7-10,19H,5-6,11-15H2,1-4H3