[4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate

Systemtic Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate Openeye Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate CAS Name: 4-(4-pyrimidinylmethyl)-1-piperazinecarboxylic acid [4-[(3,3-dimethylbutylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate Traditional Name: 4-(4-pyrimidylmethyl)piperazine-1-carboxylic acid [4-(3,3-dimethylbutylcarbamoyl)phenyl] ester Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)CC3=NC=NC=C3

Isomeric SMILES

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)CC3=NC=NC=C3

InChI

InChI=1S/C23H31N5O3/c1-23(2,3)9-11-25-21(29)18-4-6-20(7-5-18)31-22(30)28-14-12-27(13-15-28)16-19-8-10-24-17-26-19/h4-8,10,17H,9,11-16H2,1-3H3,(H,25,29)