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

Systemtic Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(3-pyridin-2-ylpropyl)piperazine-1-carboxylate Openeye Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[3-(2-pyridyl)propyl]piperazine-1-carboxylate CAS Name: 4-[3-(2-pyridinyl)propyl]-1-piperazinecarboxylic acid [4-[(3,3-dimethylbutylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(3-pyridin-2-ylpropyl)piperazine-1-carboxylate Traditional Name: 4-[3-(2-pyridyl)propyl]piperazine-1-carboxylic acid [4-(3,3-dimethylbutylcarbamoyl)phenyl] ester Formula: C26H36N4O3 MolecularWeight: 452.58904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)CCCC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)CCCC3=CC=CC=N3

InChI

InChI=1S/C26H36N4O3/c1-26(2,3)13-15-28-24(31)21-9-11-23(12-10-21)33-25(32)30-19-17-29(18-20-30)16-6-8-22-7-4-5-14-27-22/h4-5,7,9-12,14H,6,8,13,15-20H2,1-3H3,(H,28,31)