[6-[3-(dimethylamino)propylcarbamoyl]cyclohex-3-en-1-yl]methyl octadecanoate

Systemtic Name: [6-[3-(dimethylamino)propylcarbamoyl]cyclohex-3-en-1-yl]methyl octadecanoate Openeye Name: [6-[3-(dimethylamino)propylcarbamoyl]cyclohex-3-en-1-yl]methyl octadecanoate CAS Name: octadecanoic acid [6-[[3-(dimethylamino)propylamino]-oxomethyl]-1-cyclohex-3-enyl]methyl ester IUPAC Name: [6-[3-(dimethylamino)propylcarbamoyl]cyclohex-3-en-1-yl]methyl octadecanoate Traditional Name: stearic acid [6-[3-(dimethylamino)propylcarbamoyl]cyclohex-3-en-1-yl]methyl ester Formula: C31H58N2O3 MolecularWeight: 506.80382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1CC=CCC1C(=O)NCCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1CC=CCC1C(=O)NCCCN(C)C

InChI

InChI=1S/C31H58N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-30(34)36-27-28-22-19-20-23-29(28)31(35)32-25-21-26-33(2)3/h19-20,28-29H,4-18,21-27H2,1-3H3,(H,32,35)