1-[3-(2,3-dihexadecoxypropoxymethyl)phenyl]-2-(propan-2-ylamino)ethanol hydrochloride

Systemtic Name: 1-[3-(2,3-dihexadecoxypropoxymethyl)phenyl]-2-(propan-2-ylamino)ethanol hydrochloride Openeye Name: 1-[3-(2,3-dihexadecoxypropoxymethyl)phenyl]-2-(isopropylamino)ethanol hydrochloride CAS Name: 1-[3-(2,3-dihexadecoxypropoxymethyl)phenyl]-2-(propan-2-ylamino)ethanol hydrochloride IUPAC Name: 1-[3-(2,3-dihexadecoxypropoxymethyl)phenyl]-2-(propan-2-ylamino)ethanol hydrochloride Traditional Name: 1-[3-(2,3-dicetyloxypropoxymethyl)phenyl]-2-(isopropylamino)ethanol hydrochloride Formula: C47H90ClNO4 MolecularWeight: 768.6748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H89NO4.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-50-41-46(42-51-40-44-34-33-35-45(38-44)47(49)39-48-43(3)4)52-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h33-35,38,43,46-49H,5-32,36-37,39-42H2,1-4H3;1H