[1-[methanoyl(octadecyl)amino]cyclohex-3-en-1-yl]methyl N-(2-piperazin-2-ylethyl)carbamate

Systemtic Name: [1-[methanoyl(octadecyl)amino]cyclohex-3-en-1-yl]methyl N-(2-piperazin-2-ylethyl)carbamate Openeye Name: [1-[formyl(octadecyl)amino]cyclohex-3-en-1-yl]methyl N-(2-piperazin-2-ylethyl)carbamate CAS Name: N-[2-(2-piperazinyl)ethyl]carbamic acid [1-[formyl(octadecyl)amino]-1-cyclohex-3-enyl]methyl ester IUPAC Name: [1-[formyl(octadecyl)amino]cyclohex-3-en-1-yl]methyl N-(2-piperazin-2-ylethyl)carbamate Traditional Name: N-(2-piperazin-2-ylethyl)carbamic acid [1-[formyl(stearyl)amino]cyclohex-3-en-1-yl]methyl ester Formula: C33H62N4O3 MolecularWeight: 562.87038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C=O)C1(CCC=CC1)COC(=O)NCCC2CNCCN2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C=O)C1(CCC=CC1)COC(=O)NCCC2CNCCN2

InChI

InChI=1S/C33H62N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-37(30-38)33(22-18-17-19-23-33)29-40-32(39)36-24-21-31-28-34-25-26-35-31/h17-18,30-31,34-35H,2-16,19-29H2,1H3,(H,36,39)