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

Systemtic Name: 4-[2-[6-(phenethylamino)hexylamino]ethyl]-3-propyl-benzene-1,2-diol Openeye Name: 4-[2-[6-(phenethylamino)hexylamino]ethyl]-3-propyl-benzene-1,2-diol CAS Name: 4-[2-[6-(phenethylamino)hexylamino]ethyl]-3-propylbenzene-1,2-diol IUPAC Name: 4-[2-[6-(phenethylamino)hexylamino]ethyl]-3-propylbenzene-1,2-diol Traditional Name: 4-[2-[6-(phenethylamino)hexylamino]ethyl]-3-propyl-pyrocatechol Formula: C25H38N2O2 MolecularWeight: 398.58142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)O)CCNCCCCCCNCCC2=CC=CC=C2

Isomeric SMILES

CCCC1=C(C=CC(=C1O)O)CCNCCCCCCNCCC2=CC=CC=C2

InChI

InChI=1S/C25H38N2O2/c1-2-10-23-22(13-14-24(28)25(23)29)16-20-27-18-9-4-3-8-17-26-19-15-21-11-6-5-7-12-21/h5-7,11-14,26-29H,2-4,8-10,15-20H2,1H3