tert-butyl 4-[2-[(5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrol-2-yl)carbonylamino]ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrol-2-yl)carbonylamino]ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carbonyl)amino]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[[(5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrol-2-yl)-oxomethyl]amino]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carbonyl)amino]ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-carbomethoxy-5-ethyl-3-methyl-1H-pyrrole-2-carbonyl)amino]ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H34N4O5 MolecularWeight: 422.51846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NCCN2CCN(CC2)C(=O)OC(C)(C)C)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NCCN2CCN(CC2)C(=O)OC(C)(C)C)C)C(=O)OC

InChI

InChI=1S/C21H34N4O5/c1-7-15-16(19(27)29-6)14(2)17(23-15)18(26)22-8-9-24-10-12-25(13-11-24)20(28)30-21(3,4)5/h23H,7-13H2,1-6H3,(H,22,26)