2-azanyl-2-[2-(4-octylphenyl)ethyl]butane-1,4-diol hydrate

Systemtic Name: 2-azanyl-2-[2-(4-octylphenyl)ethyl]butane-1,4-diol hydrate Openeye Name: 2-amino-2-[2-(4-octylphenyl)ethyl]butane-1,4-diol hydrate CAS Name: 2-amino-2-[2-(4-octylphenyl)ethyl]butane-1,4-diol hydrate IUPAC Name: 2-amino-2-[2-(4-octylphenyl)ethyl]butane-1,4-diol hydrate Traditional Name: 2-amino-2-[2-(4-octylphenyl)ethyl]butane-1,4-diol hydrate Formula: C20H37NO3 MolecularWeight: 339.51268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(CCO)(CO)N.O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(CCO)(CO)N.O

InChI

InChI=1S/C20H35NO2.H2O/c1-2-3-4-5-6-7-8-18-9-11-19(12-10-18)13-14-20(21,17-23)15-16-22;/h9-12,22-23H,2-8,13-17,21H2,1H3;1H2