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

Systemtic Name: 3-phenethyl-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol Openeye Name: 3-phenethyl-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol CAS Name: 3-phenethyl-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol IUPAC Name: 3-phenethyl-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol Traditional Name: 3-phenethyl-4-[2-[6-(phenethylamino)hexylamino]ethyl]pyrocatechol Formula: C30H40N2O2 MolecularWeight: 460.6508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C=CC(=C2O)O)CCNCCCCCCNCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C=CC(=C2O)O)CCNCCCCCCNCCC3=CC=CC=C3

InChI

InChI=1S/C30H40N2O2/c33-29-18-16-27(28(30(29)34)17-15-25-11-5-3-6-12-25)20-24-32-22-10-2-1-9-21-31-23-19-26-13-7-4-8-14-26/h3-8,11-14,16,18,31-34H,1-2,9-10,15,17,19-24H2