[4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate

Systemtic Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate Openeye Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(1-methyl-4-imidazolyl)ethyl]-1-piperazinecarboxylic acid [4-[(3,3-dimethylbutylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylic acid [4-(3,3-dimethylbutylcarbamoyl)phenyl] ester Formula: C24H35N5O3 MolecularWeight: 441.5664

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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(C=N3)C

Isomeric SMILES

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)CCC3=CN(C=N3)C

InChI

InChI=1S/C24H35N5O3/c1-24(2,3)10-11-25-22(30)19-5-7-21(8-6-19)32-23(31)29-15-13-28(14-16-29)12-9-20-17-27(4)18-26-20/h5-8,17-18H,9-16H2,1-4H3,(H,25,30)