(3-methylphenyl) N-[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]-N-octadecyl-carbamate

Systemtic Name: (3-methylphenyl) N-[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]-N-octadecyl-carbamate Openeye Name: m-tolyl N-[3-[3-(dimethylamino)propylamino]-3-oxo-propyl]-N-octadecyl-carbamate CAS Name: N-[3-[3-(dimethylamino)propylamino]-3-oxopropyl]-N-octadecylcarbamic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) N-[3-[3-(dimethylamino)propylamino]-3-oxopropyl]-N-octadecylcarbamate Traditional Name: N-[3-[3-(dimethylamino)propylamino]-3-keto-propyl]-N-stearyl-carbamic acid m-tolyl ester Formula: C34H61N3O3 MolecularWeight: 559.86644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H61N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-37(29-25-33(38)35-26-22-27-36(3)4)34(39)40-32-24-21-23-31(2)30-32/h21,23-24,30H,5-20,22,25-29H2,1-4H3,(H,35,38)