2-(tert-butylamino)-1-[3-(2,3-dihexadecoxypropoxymethyl)phenyl]ethanol hydrochloride

Systemtic Name: 2-(tert-butylamino)-1-[3-(2,3-dihexadecoxypropoxymethyl)phenyl]ethanol hydrochloride Openeye Name: 2-(tert-butylamino)-1-[3-(2,3-dihexadecoxypropoxymethyl)phenyl]ethanol hydrochloride CAS Name: 2-(tert-butylamino)-1-[3-(2,3-dihexadecoxypropoxymethyl)phenyl]ethanol hydrochloride IUPAC Name: 2-(tert-butylamino)-1-[3-(2,3-dihexadecoxypropoxymethyl)phenyl]ethanol hydrochloride Traditional Name: 2-(tert-butylamino)-1-[3-(2,3-dicetyloxypropoxymethyl)phenyl]ethanol hydrochloride Formula: C48H92ClNO4 MolecularWeight: 782.70138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COCC1=CC(=CC=C1)C(CNC(C)(C)C)O)OCCCCCCCCCCCCCCCC.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COCC1=CC(=CC=C1)C(CNC(C)(C)C)O)OCCCCCCCCCCCCCCCC.Cl

InChI

InChI=1S/C48H91NO4.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37-51-42-46(53-38-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)43-52-41-44-35-34-36-45(39-44)47(50)40-49-48(3,4)5;/h34-36,39,46-47,49-50H,6-33,37-38,40-43H2,1-5H3;1H