2-azanyl-2-[2-[3-(3-chloranyl-4-pentoxy-phenyl)phenyl]ethyl]propane-1,3-diol

Systemtic Name: 2-azanyl-2-[2-[3-(3-chloranyl-4-pentoxy-phenyl)phenyl]ethyl]propane-1,3-diol Openeye Name: 2-amino-2-[2-[3-(3-chloro-4-pentoxy-phenyl)phenyl]ethyl]propane-1,3-diol CAS Name: 2-amino-2-[2-[3-(3-chloro-4-pentoxyphenyl)phenyl]ethyl]propane-1,3-diol IUPAC Name: 2-amino-2-[2-[3-(3-chloro-4-pentoxyphenyl)phenyl]ethyl]propane-1,3-diol Traditional Name: 2-amino-2-[2-[3-(4-amoxy-3-chloro-phenyl)phenyl]ethyl]propane-1,3-diol Formula: C22H30ClNO3 MolecularWeight: 391.9315

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2=CC(=CC=C2)CCC(CO)(CO)N)Cl

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2=CC(=CC=C2)CCC(CO)(CO)N)Cl

InChI

InChI=1S/C22H30ClNO3/c1-2-3-4-12-27-21-9-8-19(14-20(21)23)18-7-5-6-17(13-18)10-11-22(24,15-25)16-26/h5-9,13-14,25-26H,2-4,10-12,15-16,24H2,1H3