[4-benzamido-6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl N-[3-(dimethylamino)propyl]carbamate

Systemtic Name: [4-benzamido-6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl N-[3-(dimethylamino)propyl]carbamate Openeye Name: [4-benzamido-6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl N-[3-(dimethylamino)propyl]carbamate CAS Name: N-[3-(dimethylamino)propyl]carbamic acid [4-benzamido-6-[(octadecylamino)-oxomethyl]-1-cyclohex-3-enyl]methyl ester IUPAC Name: [4-benzamido-6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl N-[3-(dimethylamino)propyl]carbamate Traditional Name: N-[3-(dimethylamino)propyl]carbamic acid [4-benzamido-6-(stearylcarbamoyl)cyclohex-3-en-1-yl]methyl ester Formula: C39H66N4O4 MolecularWeight: 654.96574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1CC(=CCC1COC(=O)NCCCN(C)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1CC(=CCC1COC(=O)NCCCN(C)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C39H66N4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28-40-38(45)36-31-35(42-37(44)33-24-20-19-21-25-33)27-26-34(36)32-47-39(46)41-29-23-30-43(2)3/h19-21,24-25,27,34,36H,4-18,22-23,26,28-32H2,1-3H3,(H,40,45)(H,41,46)(H,42,44)