3-ethyl-4-(pentylamino)-5-(1-phenylethylamino)benzene-1,2-diol

Systemtic Name: 3-ethyl-4-(pentylamino)-5-(1-phenylethylamino)benzene-1,2-diol Openeye Name: 3-ethyl-4-(pentylamino)-5-(1-phenylethylamino)benzene-1,2-diol CAS Name: 3-ethyl-4-(pentylamino)-5-(1-phenylethylamino)benzene-1,2-diol IUPAC Name: 3-ethyl-4-(pentylamino)-5-(1-phenylethylamino)benzene-1,2-diol Traditional Name: 4-(amylamino)-3-ethyl-5-(1-phenylethylamino)pyrocatechol Formula: C21H30N2O2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C(=C(C=C1NC(C)C2=CC=CC=C2)O)O)CC

Isomeric SMILES

CCCCCNC1=C(C(=C(C=C1NC(C)C2=CC=CC=C2)O)O)CC

InChI

InChI=1S/C21H30N2O2/c1-4-6-10-13-22-20-17(5-2)21(25)19(24)14-18(20)23-15(3)16-11-8-7-9-12-16/h7-9,11-12,14-15,22-25H,4-6,10,13H2,1-3H3