[2-(octadecylcarbamoyl)phenyl]methyl 4-(dimethylamino)butanoate

Systemtic Name: [2-(octadecylcarbamoyl)phenyl]methyl 4-(dimethylamino)butanoate Openeye Name: [2-(octadecylcarbamoyl)phenyl]methyl 4-(dimethylamino)butanoate CAS Name: 4-(dimethylamino)butanoic acid [2-[(octadecylamino)-oxomethyl]phenyl]methyl ester IUPAC Name: [2-(octadecylcarbamoyl)phenyl]methyl 4-(dimethylamino)butanoate Traditional Name: 4-(dimethylamino)butyric acid [2-(stearylcarbamoyl)benzyl] ester Formula: C32H56N2O3 MolecularWeight: 516.79864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1COC(=O)CCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1COC(=O)CCCN(C)C

InChI

InChI=1S/C32H56N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-33-32(36)30-24-20-19-23-29(30)28-37-31(35)25-22-27-34(2)3/h19-20,23-24H,4-18,21-22,25-28H2,1-3H3,(H,33,36)