[2-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl octadecanoate

Systemtic Name: [2-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl octadecanoate Openeye Name: [2-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl octadecanoate CAS Name: octadecanoic acid [2-[[3-(dimethylamino)propylamino]-oxomethyl]phenyl]methyl ester IUPAC Name: [2-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl octadecanoate Traditional Name: stearic acid [2-[3-(dimethylamino)propylcarbamoyl]benzyl] ester Formula: C31H54N2O3 MolecularWeight: 502.77206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1C(=O)NCCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1C(=O)NCCCN(C)C

InChI

InChI=1S/C31H54N2O3/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/h19-20,22-23H,4-18,21,24-27H2,1-3H3,(H,32,35)