[4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate

Systemtic Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate Openeye Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[2-(2-pyridyl)ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(2-pyridinyl)ethyl]-1-piperazinecarboxylic acid [4-[(3,3-dimethylbutylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate Traditional Name: 4-[2-(2-pyridyl)ethyl]piperazine-1-carboxylic acid [4-(3,3-dimethylbutylcarbamoyl)phenyl] ester Formula: C25H34N4O3 MolecularWeight: 438.56246

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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=CC=N3

Isomeric SMILES

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)CCC3=CC=CC=N3

InChI

InChI=1S/C25H34N4O3/c1-25(2,3)12-14-27-23(30)20-7-9-22(10-8-20)32-24(31)29-18-16-28(17-19-29)15-11-21-6-4-5-13-26-21/h4-10,13H,11-12,14-19H2,1-3H3,(H,27,30)