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

Systemtic Name: methyl 4-(2-hydroxyethyl)-2-[2-(octadecylcarbamoyl)phenyl]piperazine-1-carboxylate hydrochloride Openeye Name: methyl 4-(2-hydroxyethyl)-2-[2-(octadecylcarbamoyl)phenyl]piperazine-1-carboxylate hydrochloride CAS Name: 4-(2-hydroxyethyl)-2-[2-[(octadecylamino)-oxomethyl]phenyl]-1-piperazinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-(2-hydroxyethyl)-2-[2-(octadecylcarbamoyl)phenyl]piperazine-1-carboxylate hydrochloride Traditional Name: 4-(2-hydroxyethyl)-2-[2-(stearylcarbamoyl)phenyl]piperazine-1-carboxylic acid methyl ester hydrochloride Formula: C33H58ClN3O4 MolecularWeight: 596.28432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H57N3O4.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-34-32(38)30-22-19-18-21-29(30)31-28-35(26-27-37)24-25-36(31)33(39)40-2;/h18-19,21-22,31,37H,3-17,20,23-28H2,1-2H3,(H,34,38);1H