tert-butyl (3R)-3-[2-(benzimidazol-1-yl)ethylcarbamoyl]-4-(2-cyclohexylethanoyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl (3R)-3-[2-(benzimidazol-1-yl)ethylcarbamoyl]-4-(2-cyclohexylethanoyl)piperazine-1-carboxylate Openeye Name: tert-butyl (3R)-3-[2-(benzimidazol-1-yl)ethylcarbamoyl]-4-(2-cyclohexylacetyl)piperazine-1-carboxylate CAS Name: (3R)-3-[[2-(1-benzimidazolyl)ethylamino]-oxomethyl]-4-(2-cyclohexyl-1-oxoethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[2-(benzimidazol-1-yl)ethylcarbamoyl]-4-(2-cyclohexylacetyl)piperazine-1-carboxylate Traditional Name: (3R)-3-[2-(benzimidazol-1-yl)ethylcarbamoyl]-4-(2-cyclohexylacetyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C27H39N5O4 MolecularWeight: 497.62966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NCCN2C=NC3=CC=CC=C32)C(=O)CC4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN([C@H](C1)C(=O)NCCN2C=NC3=CC=CC=C32)C(=O)CC4CCCCC4

InChI

InChI=1S/C27H39N5O4/c1-27(2,3)36-26(35)30-15-16-32(24(33)17-20-9-5-4-6-10-20)23(18-30)25(34)28-13-14-31-19-29-21-11-7-8-12-22(21)31/h7-8,11-12,19-20,23H,4-6,9-10,13-18H2,1-3H3,(H,28,34)/t23-/m1/s1