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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1C2CN(CCN2C(=O)OC)C.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1C2CN(CCN2C(=O)OC)C.Cl

InChI

InChI=1S/C32H55N3O3.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33-31(36)29-23-20-19-22-28(29)30-27-34(2)25-26-35(30)32(37)38-3;/h19-20,22-23,30H,4-18,21,24-27H2,1-3H3,(H,33,36);1H