[4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate

Systemtic Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate Openeye Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(1H-pyrrol-2-yl)ethyl]-1-piperazinecarboxylic acid [4-[(3,3-dimethylbutylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylic acid [4-(3,3-dimethylbutylcarbamoyl)phenyl] ester Formula: C24H34N4O3 MolecularWeight: 426.55176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)CCC3=CC=CN3

Isomeric SMILES

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)CCC3=CC=CN3

InChI

InChI=1S/C24H34N4O3/c1-24(2,3)11-13-26-22(29)19-6-8-21(9-7-19)31-23(30)28-17-15-27(16-18-28)14-10-20-5-4-12-25-20/h4-9,12,25H,10-11,13-18H2,1-3H3,(H,26,29)