2-azanyl-2-[3-[2-chloranyl-4-(3-phenylmethoxyphenoxy)phenyl]propyl]propane-1,3-diol

Systemtic Name: 2-azanyl-2-[3-[2-chloranyl-4-(3-phenylmethoxyphenoxy)phenyl]propyl]propane-1,3-diol Openeye Name: 2-amino-2-[3-[4-(3-benzyloxyphenoxy)-2-chloro-phenyl]propyl]propane-1,3-diol CAS Name: 2-amino-2-[3-[2-chloro-4-(3-phenylmethoxyphenoxy)phenyl]propyl]propane-1,3-diol IUPAC Name: 2-amino-2-[3-[2-chloro-4-(3-phenylmethoxyphenoxy)phenyl]propyl]propane-1,3-diol Traditional Name: 2-amino-2-[3-[4-(3-benzoxyphenoxy)-2-chloro-phenyl]propyl]propane-1,3-diol Formula: C25H28ClNO4 MolecularWeight: 441.94712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)OC3=CC(=C(C=C3)CCCC(CO)(CO)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)OC3=CC(=C(C=C3)CCCC(CO)(CO)N)Cl

InChI

InChI=1S/C25H28ClNO4/c26-24-15-23(12-11-20(24)8-5-13-25(27,17-28)18-29)31-22-10-4-9-21(14-22)30-16-19-6-2-1-3-7-19/h1-4,6-7,9-12,14-15,28-29H,5,8,13,16-18,27H2