methyl 2-aminocarbonyl-2-cyclohex-3-en-1-yl-3-[3-(dimethylamino)propyl]octadecanoate

Systemtic Name: methyl 2-aminocarbonyl-2-cyclohex-3-en-1-yl-3-[3-(dimethylamino)propyl]octadecanoate Openeye Name: methyl 2-carbamoyl-2-cyclohex-3-en-1-yl-3-[3-(dimethylamino)propyl]octadecanoate CAS Name: 2-carbamoyl-2-(1-cyclohex-3-enyl)-3-[3-(dimethylamino)propyl]octadecanoic acid methyl ester IUPAC Name: methyl 2-carbamoyl-2-cyclohex-3-en-1-yl-3-[3-(dimethylamino)propyl]octadecanoate Traditional Name: 2-carbamoyl-2-cyclohex-3-en-1-yl-3-[3-(dimethylamino)propyl]stearic acid methyl ester Formula: C31H58N2O3 MolecularWeight: 506.80382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCCN(C)C)C(C1CCC=CC1)(C(=O)N)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CCCN(C)C)C(C1CCC=CC1)(C(=O)N)C(=O)OC

InChI

InChI=1S/C31H58N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-22-28(25-21-26-33(2)3)31(29(32)34,30(35)36-4)27-23-19-17-20-24-27/h17,19,27-28H,5-16,18,20-26H2,1-4H3,(H2,32,34)