methyl 4-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]-octadecyl-carbamoyl]oxybenzoate

Systemtic Name: methyl 4-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]-octadecyl-carbamoyl]oxybenzoate Openeye Name: methyl 4-[[3-[3-(dimethylamino)propylamino]-3-oxo-propyl]-octadecyl-carbamoyl]oxybenzoate CAS Name: 4-[[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]-octadecylamino]-oxomethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]-octadecylcarbamoyl]oxybenzoate Traditional Name: 4-[[3-[3-(dimethylamino)propylamino]-3-keto-propyl]-stearyl-carbamoyl]oxybenzoic acid methyl ester Formula: C35H61N3O5 MolecularWeight: 603.87594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCC(=O)NCCCN(C)C)C(=O)OC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCC(=O)NCCCN(C)C)C(=O)OC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C35H61N3O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-38(30-26-33(39)36-27-21-28-37(2)3)35(41)43-32-24-22-31(23-25-32)34(40)42-4/h22-25H,5-21,26-30H2,1-4H3,(H,36,39)