[4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[3-(3-methylpyridin-2-yl)propyl]piperazine-1-carboxylate

Systemtic Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[3-(3-methylpyridin-2-yl)propyl]piperazine-1-carboxylate Openeye Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[3-(3-methyl-2-pyridyl)propyl]piperazine-1-carboxylate CAS Name: 4-[3-(3-methyl-2-pyridinyl)propyl]-1-piperazinecarboxylic acid [4-[(3,3-dimethylbutylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-[3-(3-methylpyridin-2-yl)propyl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-methyl-2-pyridyl)propyl]piperazine-1-carboxylic acid [4-(3,3-dimethylbutylcarbamoyl)phenyl] ester Formula: C27H38N4O3 MolecularWeight: 466.61562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CCCN2CCN(CC2)C(=O)OC3=CC=C(C=C3)C(=O)NCCC(C)(C)C

Isomeric SMILES

CC1=C(N=CC=C1)CCCN2CCN(CC2)C(=O)OC3=CC=C(C=C3)C(=O)NCCC(C)(C)C

InChI

InChI=1S/C27H38N4O3/c1-21-7-5-14-28-24(21)8-6-16-30-17-19-31(20-18-30)26(33)34-23-11-9-22(10-12-23)25(32)29-15-13-27(2,3)4/h5,7,9-12,14H,6,8,13,15-20H2,1-4H3,(H,29,32)