[6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate

Systemtic Name: [6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate Openeye Name: [6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate CAS Name: N-[3-(1-imidazolyl)propyl]carbamic acid [6-[(octadecylamino)-oxomethyl]-1-cyclohex-3-enyl]methyl ester IUPAC Name: [6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate Traditional Name: N-(3-imidazol-1-ylpropyl)carbamic acid [6-(stearylcarbamoyl)cyclohex-3-en-1-yl]methyl ester Formula: C33H58N4O3 MolecularWeight: 558.83862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1CC=CCC1COC(=O)NCCCN2C=CN=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1CC=CCC1COC(=O)NCCCN2C=CN=C2

InChI

InChI=1S/C33H58N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-35-32(38)31-22-18-17-21-30(31)28-40-33(39)36-24-20-26-37-27-25-34-29-37/h17-18,25,27,29-31H,2-16,19-24,26,28H2,1H3,(H,35,38)(H,36,39)