tert-butyl 4-[2-(3-ethoxycarbonyl-2,5-dimethyl-pyrrol-1-yl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(3-ethoxycarbonyl-2,5-dimethyl-pyrrol-1-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-ethoxycarbonyl-2,5-dimethyl-pyrrol-1-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(3-ethoxycarbonyl-2,5-dimethyl-1-pyrrolyl)-1-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3-carbethoxy-2,5-dimethyl-pyrrol-1-yl)acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C20H31N3O5/c1-7-27-18(25)16-12-14(2)23(15(16)3)13-17(24)21-8-10-22(11-9-21)19(26)28-20(4,5)6/h12H,7-11,13H2,1-6H3