3-(4-hydroxyphenyl)-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol

Systemtic Name: 3-(4-hydroxyphenyl)-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol Openeye Name: 3-(4-hydroxyphenyl)-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol CAS Name: 3-(4-hydroxyphenyl)-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol IUPAC Name: 3-(4-hydroxyphenyl)-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol Traditional Name: 3-(4-hydroxyphenyl)-4-[2-[6-(phenethylamino)hexylamino]ethyl]pyrocatechol Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCCCCCCNCCC2=C(C(=C(C=C2)O)O)C3=CC=C(C=C3)O

Isomeric SMILES

C1=CC=C(C=C1)CCNCCCCCCNCCC2=C(C(=C(C=C2)O)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C28H36N2O3/c31-25-13-10-23(11-14-25)27-24(12-15-26(32)28(27)33)17-21-30-19-7-2-1-6-18-29-20-16-22-8-4-3-5-9-22/h3-5,8-15,29-33H,1-2,6-7,16-21H2