[2-methyl-6-(octadecylcarbamoyl)phenyl]methyl N-[3-(dimethylamino)propyl]carbamate

Systemtic Name: [2-methyl-6-(octadecylcarbamoyl)phenyl]methyl N-[3-(dimethylamino)propyl]carbamate Openeye Name: [2-methyl-6-(octadecylcarbamoyl)phenyl]methyl N-[3-(dimethylamino)propyl]carbamate CAS Name: N-[3-(dimethylamino)propyl]carbamic acid [2-methyl-6-[(octadecylamino)-oxomethyl]phenyl]methyl ester IUPAC Name: [2-methyl-6-(octadecylcarbamoyl)phenyl]methyl N-[3-(dimethylamino)propyl]carbamate Traditional Name: N-[3-(dimethylamino)propyl]carbamic acid [2-methyl-6-(stearylcarbamoyl)benzyl] ester Formula: C33H59N3O3 MolecularWeight: 545.83986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C(=CC=C1)C)COC(=O)NCCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C(=CC=C1)C)COC(=O)NCCCN(C)C

InChI

InChI=1S/C33H59N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-34-32(37)30-24-21-23-29(2)31(30)28-39-33(38)35-26-22-27-36(3)4/h21,23-24H,5-20,22,25-28H2,1-4H3,(H,34,37)(H,35,38)