[6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl 4-(dimethylamino)butanoate

Systemtic Name: [6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl 4-(dimethylamino)butanoate Openeye Name: [6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl 4-(dimethylamino)butanoate CAS Name: 4-(dimethylamino)butanoic acid [6-[(octadecylamino)-oxomethyl]-1-cyclohex-3-enyl]methyl ester IUPAC Name: [6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl 4-(dimethylamino)butanoate Traditional Name: 4-(dimethylamino)butyric acid [6-(stearylcarbamoyl)cyclohex-3-en-1-yl]methyl ester Formula: C32H60N2O3 MolecularWeight: 520.8304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1CC=CCC1COC(=O)CCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1CC=CCC1COC(=O)CCCN(C)C

InChI

InChI=1S/C32H60N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-33-32(36)30-24-20-19-23-29(30)28-37-31(35)25-22-27-34(2)3/h19-20,29-30H,4-18,21-28H2,1-3H3,(H,33,36)