4-[8-(2-chloroethylamino)-3-(4-hydroxyphenyl)-3-methyl-octan-4-yl]phenol chloride

Systemtic Name: 4-[8-(2-chloroethylamino)-3-(4-hydroxyphenyl)-3-methyl-octan-4-yl]phenol chloride Openeye Name: 4-[5-(2-chloroethylamino)-1-[1-(4-hydroxyphenyl)-1-methyl-propyl]pentyl]phenol chloride CAS Name: 4-[8-(2-chloroethylamino)-3-(4-hydroxyphenyl)-3-methyloctan-4-yl]phenol chloride IUPAC Name: 4-[8-(2-chloroethylamino)-3-(4-hydroxyphenyl)-3-methyloctan-4-yl]phenol chloride Traditional Name: 4-[5-(2-chloroethylamino)-1-[1-(4-hydroxyphenyl)-1-methyl-propyl]pentyl]phenol chloride Formula: C23H32Cl2NO2- MolecularWeight: 425.41168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C1=CC=C(C=C1)O)C(CCCCNCCCl)C2=CC=C(C=C2)O.[Cl-]

Isomeric SMILES

CCC(C)(C1=CC=C(C=C1)O)C(CCCCNCCCl)C2=CC=C(C=C2)O.[Cl-]

InChI

InChI=1S/C23H32ClNO2.ClH/c1-3-23(2,19-9-13-21(27)14-10-19)22(6-4-5-16-25-17-15-24)18-7-11-20(26)12-8-18;/h7-14,22,25-27H,3-6,15-17H2,1-2H3;1H/p-1