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

Systemtic Name: 4-[2-[6-(phenethylamino)hexylamino]ethyl]-3-(phenylmethyl)benzene-1,2-diol Openeye Name: 3-benzyl-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol CAS Name: 4-[2-[6-(phenethylamino)hexylamino]ethyl]-3-(phenylmethyl)benzene-1,2-diol IUPAC Name: 3-benzyl-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol Traditional Name: 3-benzyl-4-[2-[6-(phenethylamino)hexylamino]ethyl]pyrocatechol Formula: C29H38N2O2 MolecularWeight: 446.62422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCCCCCCNCCC2=C(C(=C(C=C2)O)O)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNCCCCCCNCCC2=C(C(=C(C=C2)O)O)CC3=CC=CC=C3

InChI

InChI=1S/C29H38N2O2/c32-28-16-15-26(27(29(28)33)23-25-13-7-4-8-14-25)18-22-31-20-10-2-1-9-19-30-21-17-24-11-5-3-6-12-24/h3-8,11-16,30-33H,1-2,9-10,17-23H2