[6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(1-piperazin-2-ylethyl)carbamate

Systemtic Name: [6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(1-piperazin-2-ylethyl)carbamate Openeye Name: [6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(1-piperazin-2-ylethyl)carbamate CAS Name: N-[1-(2-piperazinyl)ethyl]carbamic acid [6-[(octadecylamino)-oxomethyl]-1-cyclohex-3-enyl]methyl ester IUPAC Name: [6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(1-piperazin-2-ylethyl)carbamate Traditional Name: N-(1-piperazin-2-ylethyl)carbamic acid [6-(stearylcarbamoyl)cyclohex-3-en-1-yl]methyl ester Formula: C33H62N4O3 MolecularWeight: 562.87038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1CC=CCC1COC(=O)NC(C)C2CNCCN2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1CC=CCC1COC(=O)NC(C)C2CNCCN2

InChI

InChI=1S/C33H62N4O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-36-32(38)30-22-19-18-21-29(30)27-40-33(39)37-28(2)31-26-34-24-25-35-31/h18-19,28-31,34-35H,3-17,20-27H2,1-2H3,(H,36,38)(H,37,39)