3-(1-azanylethyl)-4-ethyl-6-[2-(phenethylamino)ethyl]-5-phenyl-benzene-1,2-diol

Systemtic Name: 3-(1-azanylethyl)-4-ethyl-6-[2-(phenethylamino)ethyl]-5-phenyl-benzene-1,2-diol Openeye Name: 3-(1-aminoethyl)-4-ethyl-6-[2-(phenethylamino)ethyl]-5-phenyl-benzene-1,2-diol CAS Name: 3-(1-aminoethyl)-4-ethyl-6-[2-(phenethylamino)ethyl]-5-phenylbenzene-1,2-diol IUPAC Name: 3-(1-aminoethyl)-4-ethyl-6-[2-(phenethylamino)ethyl]-5-phenylbenzene-1,2-diol Traditional Name: 3-(1-aminoethyl)-4-ethyl-6-[2-(phenethylamino)ethyl]-5-phenyl-pyrocatechol Formula: C26H32N2O2 MolecularWeight: 404.54448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1C(C)N)O)O)CCNCCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=C(C(=C1C(C)N)O)O)CCNCCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H32N2O2/c1-3-21-23(18(2)27)26(30)25(29)22(24(21)20-12-8-5-9-13-20)15-17-28-16-14-19-10-6-4-7-11-19/h4-13,18,28-30H,3,14-17,27H2,1-2H3