[6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl 4-(phenylmethyl)piperazine-1-carboxylate hydrochloride

Systemtic Name: [6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl 4-(phenylmethyl)piperazine-1-carboxylate hydrochloride Openeye Name: [6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl 4-benzylpiperazine-1-carboxylate hydrochloride CAS Name: 4-(phenylmethyl)-1-piperazinecarboxylic acid [6-[(octadecylamino)-oxomethyl]-1-cyclohex-3-enyl]methyl ester hydrochloride IUPAC Name: [6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl 4-benzylpiperazine-1-carboxylate hydrochloride Traditional Name: 4-benzylpiperazine-1-carboxylic acid [6-(stearylcarbamoyl)cyclohex-3-en-1-yl]methyl ester hydrochloride Formula: C38H64ClN3O3 MolecularWeight: 646.38606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1CC=CCC1COC(=O)N2CCN(CC2)CC3=CC=CC=C3.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1CC=CCC1COC(=O)N2CCN(CC2)CC3=CC=CC=C3.Cl

InChI

InChI=1S/C38H63N3O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-27-39-37(42)36-26-21-20-25-35(36)33-44-38(43)41-30-28-40(29-31-41)32-34-23-18-17-19-24-34;/h17-21,23-24,35-36H,2-16,22,25-33H2,1H3,(H,39,42);1H