[4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate

Systemtic Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate Openeye Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(1H-imidazol-5-yl)ethyl]-1-piperazinecarboxylic acid [4-[(3,3-dimethylbutylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylic acid [4-(3,3-dimethylbutylcarbamoyl)phenyl] ester Formula: C23H33N5O3 MolecularWeight: 427.53982

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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=CN3

Isomeric SMILES

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)CCC3=CN=CN3

InChI

InChI=1S/C23H33N5O3/c1-23(2,3)9-10-25-21(29)18-4-6-20(7-5-18)31-22(30)28-14-12-27(13-15-28)11-8-19-16-24-17-26-19/h4-7,16-17H,8-15H2,1-3H3,(H,24,26)(H,25,29)