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

Systemtic Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(2-pyridin-3-ylethyl)piperazine-1-carboxylate Openeye Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[2-(3-pyridyl)ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(3-pyridinyl)ethyl]-1-piperazinecarboxylic acid [4-[(3,3-dimethylbutylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(2-pyridin-3-ylethyl)piperazine-1-carboxylate Traditional Name: 4-[2-(3-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=CN=CC=C3

Isomeric SMILES

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)CCC3=CN=CC=C3

InChI

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