[4-cyano-2-(octadecylcarbamoyl)phenyl]methyl N-[5-(dimethylamino)pentyl]carbamate

Systemtic Name: [4-cyano-2-(octadecylcarbamoyl)phenyl]methyl N-[5-(dimethylamino)pentyl]carbamate Openeye Name: [4-cyano-2-(octadecylcarbamoyl)phenyl]methyl N-[5-(dimethylamino)pentyl]carbamate CAS Name: N-[5-(dimethylamino)pentyl]carbamic acid [4-cyano-2-[(octadecylamino)-oxomethyl]phenyl]methyl ester IUPAC Name: [4-cyano-2-(octadecylcarbamoyl)phenyl]methyl N-[5-(dimethylamino)pentyl]carbamate Traditional Name: N-[5-(dimethylamino)pentyl]carbamic acid [4-cyano-2-(stearylcarbamoyl)benzyl] ester Formula: C35H60N4O3 MolecularWeight: 584.8759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C=CC(=C1)C#N)COC(=O)NCCCCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C=CC(=C1)C#N)COC(=O)NCCCCCN(C)C

InChI

InChI=1S/C35H60N4O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-37-34(40)33-28-31(29-36)23-24-32(33)30-42-35(41)38-26-21-19-22-27-39(2)3/h23-24,28H,4-22,25-27,30H2,1-3H3,(H,37,40)(H,38,41)