2-diethylaminoethyl 2-(4-octoxyphenyl)-2-oxidanyl-2-phenyl-ethanoate hydrochloride

Systemtic Name: 2-diethylaminoethyl 2-(4-octoxyphenyl)-2-oxidanyl-2-phenyl-ethanoate hydrochloride Openeye Name: 2-diethylaminoethyl 2-hydroxy-2-(4-octoxyphenyl)-2-phenyl-acetate hydrochloride CAS Name: 2-hydroxy-2-(4-octoxyphenyl)-2-phenylacetic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 2-hydroxy-2-(4-octoxyphenyl)-2-phenylacetate hydrochloride Traditional Name: 2-hydroxy-2-(4-octoxyphenyl)-2-phenyl-acetic acid 2-diethylaminoethyl ester hydrochloride Formula: C28H42ClNO4 MolecularWeight: 492.09038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OCCN(CC)CC)O.Cl

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OCCN(CC)CC)O.Cl

InChI

InChI=1S/C28H41NO4.ClH/c1-4-7-8-9-10-14-22-32-26-19-17-25(18-20-26)28(31,24-15-12-11-13-16-24)27(30)33-23-21-29(5-2)6-3;/h11-13,15-20,31H,4-10,14,21-23H2,1-3H3;1H