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

Systemtic Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-pyridin-2-ylpiperazine-1-carboxylate Openeye Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(2-pyridinyl)-1-piperazinecarboxylic acid [4-[(3,3-dimethylbutylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-pyridin-2-ylpiperazine-1-carboxylate Traditional Name: 4-(2-pyridyl)piperazine-1-carboxylic acid [4-(3,3-dimethylbutylcarbamoyl)phenyl] ester Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C23H30N4O3/c1-23(2,3)11-13-25-21(28)18-7-9-19(10-8-18)30-22(29)27-16-14-26(15-17-27)20-6-4-5-12-24-20/h4-10,12H,11,13-17H2,1-3H3,(H,25,28)