2-[2-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]phenyl]ethyl]-2-azanyl-propane-1,3-diol

Systemtic Name: 2-[2-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]phenyl]ethyl]-2-azanyl-propane-1,3-diol Openeye Name: 2-[2-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]phenyl]ethyl]-2-amino-propane-1,3-diol CAS Name: 2-[2-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]ethyl]-2-aminopropane-1,3-diol IUPAC Name: 2-[2-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]ethyl]-2-aminopropane-1,3-diol Traditional Name: 2-[2-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]phenyl]ethyl]-2-amino-propane-1,3-diol Formula: C27H35NO3 MolecularWeight: 421.5717

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC=C(C=C5)CCC(CO)(CO)N)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC=C(C=C5)CCC(CO)(CO)N)O

InChI

InChI=1S/C27H35NO3/c28-27(16-29,17-30)8-7-18-1-3-22(4-2-18)23-5-6-25(31)24(12-23)26-13-19-9-20(14-26)11-21(10-19)15-26/h1-6,12,19-21,29-31H,7-11,13-17,28H2