[1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 4-(hexadecylamino)benzoate

Systemtic Name: [1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 4-(hexadecylamino)benzoate Openeye Name: [2-(dimethylamino)-1-methyl-2-oxo-ethyl] 4-(hexadecylamino)benzoate CAS Name: 4-(hexadecylamino)benzoic acid [1-(dimethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(dimethylamino)-1-oxopropan-2-yl] 4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)benzoic acid [2-(dimethylamino)-2-keto-1-methyl-ethyl] ester Formula: C28H48N2O3 MolecularWeight: 460.69232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(C)C(=O)N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(C)C(=O)N(C)C

InChI

InChI=1S/C28H48N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-29-26-21-19-25(20-22-26)28(32)33-24(2)27(31)30(3)4/h19-22,24,29H,5-18,23H2,1-4H3