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

Systemtic Name: [2-(octadecylcarbamoyl)phenyl]methyl 4-methylpiperazine-1-carboxylate Openeye Name: [2-(octadecylcarbamoyl)phenyl]methyl 4-methylpiperazine-1-carboxylate CAS Name: 4-methyl-1-piperazinecarboxylic acid [2-[(octadecylamino)-oxomethyl]phenyl]methyl ester IUPAC Name: [2-(octadecylcarbamoyl)phenyl]methyl 4-methylpiperazine-1-carboxylate Traditional Name: 4-methylpiperazine-1-carboxylic acid [2-(stearylcarbamoyl)benzyl] ester Formula: C32H55N3O3 MolecularWeight: 529.7974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H55N3O3/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)