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

Systemtic Name: 2-azanyl-5-[2-chloranyl-4-(3-phenylmethoxyphenoxy)phenyl]heptane-1,3-diol hydrochloride Openeye Name: 2-amino-5-[4-(3-benzyloxyphenoxy)-2-chloro-phenyl]heptane-1,3-diol hydrochloride CAS Name: 2-amino-5-[2-chloro-4-(3-phenylmethoxyphenoxy)phenyl]heptane-1,3-diol hydrochloride IUPAC Name: 2-amino-5-[2-chloro-4-(3-phenylmethoxyphenoxy)phenyl]heptane-1,3-diol hydrochloride Traditional Name: 2-amino-5-[4-(3-benzoxyphenoxy)-2-chloro-phenyl]heptane-1,3-diol hydrochloride Formula: C26H31Cl2NO4 MolecularWeight: 492.43464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C(CO)N)O)C1=C(C=C(C=C1)OC2=CC(=CC=C2)OCC3=CC=CC=C3)Cl.Cl

Isomeric SMILES

CCC(CC(C(CO)N)O)C1=C(C=C(C=C1)OC2=CC(=CC=C2)OCC3=CC=CC=C3)Cl.Cl

InChI

InChI=1S/C26H30ClNO4.ClH/c1-2-19(13-26(30)25(28)16-29)23-12-11-22(15-24(23)27)32-21-10-6-9-20(14-21)31-17-18-7-4-3-5-8-18;/h3-12,14-15,19,25-26,29-30H,2,13,16-17,28H2,1H3;1H