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

Systemtic Name: [5-cyano-6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl N-[3-(dimethylamino)propyl]carbamate Openeye Name: [5-cyano-6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl N-[3-(dimethylamino)propyl]carbamate CAS Name: N-[3-(dimethylamino)propyl]carbamic acid [5-cyano-6-[(octadecylamino)-oxomethyl]-1-cyclohex-3-enyl]methyl ester IUPAC Name: [5-cyano-6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl N-[3-(dimethylamino)propyl]carbamate Traditional Name: N-[3-(dimethylamino)propyl]carbamic acid [5-cyano-6-(stearylcarbamoyl)cyclohex-3-en-1-yl]methyl ester Formula: C33H60N4O3 MolecularWeight: 560.8545

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1C(CC=CC1C#N)COC(=O)NCCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1C(CC=CC1C#N)COC(=O)NCCCN(C)C

InChI

InChI=1S/C33H60N4O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-35-32(38)31-29(27-34)22-20-23-30(31)28-40-33(39)36-25-21-26-37(2)3/h20,22,29-31H,4-19,21,23-26,28H2,1-3H3,(H,35,38)(H,36,39)