[4-(2,4,4-trimethylpentan-2-ylcarbamoyl)phenyl] 4-(6-methylpyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: [4-(2,4,4-trimethylpentan-2-ylcarbamoyl)phenyl] 4-(6-methylpyridin-2-yl)piperazine-1-carboxylate Openeye Name: [4-(1,1,3,3-tetramethylbutylcarbamoyl)phenyl] 4-(6-methyl-2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(6-methyl-2-pyridinyl)-1-piperazinecarboxylic acid [4-[oxo-(2,4,4-trimethylpentan-2-ylamino)methyl]phenyl] ester IUPAC Name: [4-(2,4,4-trimethylpentan-2-ylcarbamoyl)phenyl] 4-(6-methylpyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(6-methyl-2-pyridyl)piperazine-1-carboxylic acid [4-(1,1,3,3-tetramethylbutylcarbamoyl)phenyl] ester Formula: C26H36N4O3 MolecularWeight: 452.58904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2CCN(CC2)C(=O)OC3=CC=C(C=C3)C(=O)NC(C)(C)CC(C)(C)C

Isomeric SMILES

CC1=NC(=CC=C1)N2CCN(CC2)C(=O)OC3=CC=C(C=C3)C(=O)NC(C)(C)CC(C)(C)C

InChI

InChI=1S/C26H36N4O3/c1-19-8-7-9-22(27-19)29-14-16-30(17-15-29)24(32)33-21-12-10-20(11-13-21)23(31)28-26(5,6)18-25(2,3)4/h7-13H,14-18H2,1-6H3,(H,28,31)