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

Systemtic Name: 2-azanyl-2-[2-[4-(4-butoxy-3-chloranyl-phenyl)phenyl]ethyl]propane-1,3-diol Openeye Name: 2-amino-2-[2-[4-(4-butoxy-3-chloro-phenyl)phenyl]ethyl]propane-1,3-diol CAS Name: 2-amino-2-[2-[4-(4-butoxy-3-chlorophenyl)phenyl]ethyl]propane-1,3-diol IUPAC Name: 2-amino-2-[2-[4-(4-butoxy-3-chlorophenyl)phenyl]ethyl]propane-1,3-diol Traditional Name: 2-amino-2-[2-[4-(4-butoxy-3-chloro-phenyl)phenyl]ethyl]propane-1,3-diol Formula: C21H28ClNO3 MolecularWeight: 377.90492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)CCC(CO)(CO)N)Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)CCC(CO)(CO)N)Cl

InChI

InChI=1S/C21H28ClNO3/c1-2-3-12-26-20-9-8-18(13-19(20)22)17-6-4-16(5-7-17)10-11-21(23,14-24)15-25/h4-9,13,24-25H,2-3,10-12,14-15,23H2,1H3