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

Systemtic Name: 2-azanyl-2-[4-[4-(4-octylphenyl)phenyl]butyl]propane-1,3-diol Openeye Name: 2-amino-2-[4-[4-(4-octylphenyl)phenyl]butyl]propane-1,3-diol CAS Name: 2-amino-2-[4-[4-(4-octylphenyl)phenyl]butyl]propane-1,3-diol IUPAC Name: 2-amino-2-[4-[4-(4-octylphenyl)phenyl]butyl]propane-1,3-diol Traditional Name: 2-amino-2-[4-[4-(4-octylphenyl)phenyl]butyl]propane-1,3-diol Formula: C27H41NO2 MolecularWeight: 411.61994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCCC(CO)(CO)N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCCC(CO)(CO)N

InChI

InChI=1S/C27H41NO2/c1-2-3-4-5-6-7-10-23-12-16-25(17-13-23)26-18-14-24(15-19-26)11-8-9-20-27(28,21-29)22-30/h12-19,29-30H,2-11,20-22,28H2,1H3