2-azanyl-5-[2-chloranyl-4-(3-phenylmethoxyphenoxy)phenyl]pentane-1,3-diol hydrochloride

Systemtic Name: 2-azanyl-5-[2-chloranyl-4-(3-phenylmethoxyphenoxy)phenyl]pentane-1,3-diol hydrochloride Openeye Name: 2-amino-5-[4-(3-benzyloxyphenoxy)-2-chloro-phenyl]pentane-1,3-diol hydrochloride CAS Name: 2-amino-5-[2-chloro-4-(3-phenylmethoxyphenoxy)phenyl]pentane-1,3-diol hydrochloride IUPAC Name: 2-amino-5-[2-chloro-4-(3-phenylmethoxyphenoxy)phenyl]pentane-1,3-diol hydrochloride Traditional Name: 2-amino-5-[4-(3-benzoxyphenoxy)-2-chloro-phenyl]pentane-1,3-diol hydrochloride Formula: C24H27Cl2NO4 MolecularWeight: 464.38148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)OC3=CC(=C(C=C3)CCC(C(CO)N)O)Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)OC3=CC(=C(C=C3)CCC(C(CO)N)O)Cl.Cl

InChI

InChI=1S/C24H26ClNO4.ClH/c25-22-14-21(11-9-18(22)10-12-24(28)23(26)15-27)30-20-8-4-7-19(13-20)29-16-17-5-2-1-3-6-17;/h1-9,11,13-14,23-24,27-28H,10,12,15-16,26H2;1H