methyl 4-(dimethylamino)-2-[6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]butanoate

Systemtic Name: methyl 4-(dimethylamino)-2-[6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]butanoate Openeye Name: methyl 4-(dimethylamino)-2-[6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]butanoate CAS Name: 4-(dimethylamino)-2-[6-[(octadecylamino)-oxomethyl]-1-cyclohex-3-enyl]butanoic acid methyl ester IUPAC Name: methyl 4-(dimethylamino)-2-[6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]butanoate Traditional Name: 4-(dimethylamino)-2-[6-(stearylcarbamoyl)cyclohex-3-en-1-yl]butyric acid methyl ester Formula: C32H60N2O3 MolecularWeight: 520.8304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1CC=CCC1C(CCN(C)C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1CC=CCC1C(CCN(C)C)C(=O)OC

InChI

InChI=1S/C32H60N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-33-31(35)29-24-21-20-23-28(29)30(32(36)37-4)25-27-34(2)3/h20-21,28-30H,5-19,22-27H2,1-4H3,(H,33,35)