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

Systemtic Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(3-pyridin-3-ylpropyl)piperazine-1-carboxylate Openeye Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[3-(3-pyridyl)propyl]piperazine-1-carboxylate CAS Name: 4-[3-(3-pyridinyl)propyl]-1-piperazinecarboxylic acid [4-[(3,3-dimethylbutylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(3-pyridin-3-ylpropyl)piperazine-1-carboxylate Traditional Name: 4-[3-(3-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=CN=CC=C3

Isomeric SMILES

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)CCCC3=CN=CC=C3

InChI

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