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

Systemtic Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate Openeye Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(2-pyridylmethyl)piperazine-1-carboxylate CAS Name: 4-(2-pyridinylmethyl)-1-piperazinecarboxylic acid [4-[(3,3-dimethylbutylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate Traditional Name: 4-(2-pyridylmethyl)piperazine-1-carboxylic acid [4-(3,3-dimethylbutylcarbamoyl)phenyl] ester Formula: C24H32N4O3 MolecularWeight: 424.53588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C24H32N4O3/c1-24(2,3)11-13-26-22(29)19-7-9-21(10-8-19)31-23(30)28-16-14-27(15-17-28)18-20-6-4-5-12-25-20/h4-10,12H,11,13-18H2,1-3H3,(H,26,29)