[1-[4-imidazol-1-ylbutanoyl(octadecyl)amino]cyclohex-3-en-1-yl]methyl carbamate

Systemtic Name: [1-[4-imidazol-1-ylbutanoyl(octadecyl)amino]cyclohex-3-en-1-yl]methyl carbamate Openeye Name: [1-[4-imidazol-1-ylbutanoyl(octadecyl)amino]cyclohex-3-en-1-yl]methyl carbamate CAS Name: carbamic acid [1-[[4-(1-imidazolyl)-1-oxobutyl]-octadecylamino]-1-cyclohex-3-enyl]methyl ester IUPAC Name: [1-[4-imidazol-1-ylbutanoyl(octadecyl)amino]cyclohex-3-en-1-yl]methyl carbamate Traditional Name: carbamic acid [1-[4-imidazol-1-ylbutanoyl(stearyl)amino]cyclohex-3-en-1-yl]methyl ester Formula: C33H58N4O3 MolecularWeight: 558.83862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C(=O)CCCN1C=CN=C1)C2(CCC=CC2)COC(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C(=O)CCCN1C=CN=C1)C2(CCC=CC2)COC(=O)N

InChI

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