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

Systemtic Name: 2-azanyl-2-[4-[2-chloranyl-4-(3-phenylmethoxyphenoxy)phenyl]butyl]propane-1,3-diol Openeye Name: 2-amino-2-[4-[4-(3-benzyloxyphenoxy)-2-chloro-phenyl]butyl]propane-1,3-diol CAS Name: 2-amino-2-[4-[2-chloro-4-(3-phenylmethoxyphenoxy)phenyl]butyl]propane-1,3-diol IUPAC Name: 2-amino-2-[4-[2-chloro-4-(3-phenylmethoxyphenoxy)phenyl]butyl]propane-1,3-diol Traditional Name: 2-amino-2-[4-[4-(3-benzoxyphenoxy)-2-chloro-phenyl]butyl]propane-1,3-diol Formula: C26H30ClNO4 MolecularWeight: 455.9737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClNO4/c27-25-16-24(13-12-21(25)9-4-5-14-26(28,18-29)19-30)32-23-11-6-10-22(15-23)31-17-20-7-2-1-3-8-20/h1-3,6-8,10-13,15-16,29-30H,4-5,9,14,17-19,28H2