[2-(octadecylcarbamoyl)phenyl]methyl 4-methylpiperazine-1-carboxylate hydrochloride

Systemtic Name: [2-(octadecylcarbamoyl)phenyl]methyl 4-methylpiperazine-1-carboxylate hydrochloride Openeye Name: [2-(octadecylcarbamoyl)phenyl]methyl 4-methylpiperazine-1-carboxylate hydrochloride CAS Name: 4-methyl-1-piperazinecarboxylic acid [2-[(octadecylamino)-oxomethyl]phenyl]methyl ester hydrochloride IUPAC Name: [2-(octadecylcarbamoyl)phenyl]methyl 4-methylpiperazine-1-carboxylate hydrochloride Traditional Name: 4-methylpiperazine-1-carboxylic acid [2-(stearylcarbamoyl)benzyl] ester hydrochloride Formula: C32H56ClN3O3 MolecularWeight: 566.25834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1COC(=O)N2CCN(CC2)C.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1COC(=O)N2CCN(CC2)C.Cl

InChI

InChI=1S/C32H55N3O3.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-33-31(36)30-22-19-18-21-29(30)28-38-32(37)35-26-24-34(2)25-27-35;/h18-19,21-22H,3-17,20,23-28H2,1-2H3,(H,33,36);1H