methyl 6-[3-(dimethylamino)propylcarbamoyloxymethyl]-5-(octadecylcarbamoyl)cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl 6-[3-(dimethylamino)propylcarbamoyloxymethyl]-5-(octadecylcarbamoyl)cyclohex-2-ene-1-carboxylate Openeye Name: methyl 6-[3-(dimethylamino)propylcarbamoyloxymethyl]-5-(octadecylcarbamoyl)cyclohex-2-ene-1-carboxylate CAS Name: 6-[[[3-(dimethylamino)propylamino]-oxomethoxy]methyl]-5-[(octadecylamino)-oxomethyl]-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl 6-[3-(dimethylamino)propylcarbamoyloxymethyl]-5-(octadecylcarbamoyl)cyclohex-2-ene-1-carboxylate Traditional Name: 6-[3-(dimethylamino)propylcarbamoyloxymethyl]-5-(stearylcarbamoyl)cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C34H63N3O5 MolecularWeight: 593.88112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1CC=CC(C1COC(=O)NCCCN(C)C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1CC=CC(C1COC(=O)NCCCN(C)C)C(=O)OC

InChI

InChI=1S/C34H63N3O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-35-32(38)29-23-21-24-30(33(39)41-4)31(29)28-42-34(40)36-26-22-27-37(2)3/h21,24,29-31H,5-20,22-23,25-28H2,1-4H3,(H,35,38)(H,36,40)