3-[2,5-ditert-butyl-4-[2-(4-methylphenoxy)ethyl]-5H-1,3-oxazol-4-yl]phenol; hexan-1-amine; hydrochloride

Systemtic Name: 3-[2,5-ditert-butyl-4-[2-(4-methylphenoxy)ethyl]-5H-1,3-oxazol-4-yl]phenol; hexan-1-amine; hydrochloride Openeye Name: 3-[2,5-ditert-butyl-4-[2-(4-methylphenoxy)ethyl]-5H-oxazol-4-yl]phenol; hexan-1-amine; hydrochloride CAS Name: 3-[2,5-ditert-butyl-4-[2-(4-methylphenoxy)ethyl]-5H-oxazol-4-yl]phenol; 1-hexanamine; hydrochloride IUPAC Name: 3-[2,5-ditert-butyl-4-[2-(4-methylphenoxy)ethyl]-5H-1,3-oxazol-4-yl]phenol; hexan-1-amine; hydrochloride Traditional Name: 3-[2,5-ditert-butyl-4-[2-(4-methylphenoxy)ethyl]-2-oxazolin-4-yl]phenol; hexylamine; hydrochloride Formula: C32H51ClN2O3 MolecularWeight: 547.21194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN.CC1=CC=C(C=C1)OCCC2(C(OC(=N2)C(C)(C)C)C(C)(C)C)C3=CC(=CC=C3)O.Cl

Isomeric SMILES

CCCCCCN.CC1=CC=C(C=C1)OCCC2(C(OC(=N2)C(C)(C)C)C(C)(C)C)C3=CC(=CC=C3)O.Cl

InChI

InChI=1S/C26H35NO3.C6H15N.ClH/c1-18-11-13-21(14-12-18)29-16-15-26(19-9-8-10-20(28)17-19)22(24(2,3)4)30-23(27-26)25(5,6)7;1-2-3-4-5-6-7;/h8-14,17,22,28H,15-16H2,1-7H3;2-7H2,1H3;1H