N4-[2-tert-butyl-4-ethyl-6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine

Systemtic Name: N4-[2-tert-butyl-4-ethyl-6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine Openeye Name: N4-[2-tert-butyl-4-ethyl-6-methoxy-5-[3-(trifluoromethyl)phenoxy]-8-quinolyl]pentane-1,4-diamine CAS Name: N4-[2-tert-butyl-4-ethyl-6-methoxy-5-[3-(trifluoromethyl)phenoxy]-8-quinolinyl]pentane-1,4-diamine IUPAC Name: 4-N-[2-tert-butyl-4-ethyl-6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine Traditional Name: (4-amino-1-methyl-butyl)-[2-tert-butyl-4-ethyl-6-methoxy-5-[3-(trifluoromethyl)phenoxy]-8-quinolyl]amine Formula: C28H36F3N3O2 MolecularWeight: 503.59955

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC2=C1C(=C(C=C2NC(C)CCCN)OC)OC3=CC=CC(=C3)C(F)(F)F)C(C)(C)C

Isomeric SMILES

CCC1=CC(=NC2=C1C(=C(C=C2NC(C)CCCN)OC)OC3=CC=CC(=C3)C(F)(F)F)C(C)(C)C

InChI

InChI=1S/C28H36F3N3O2/c1-7-18-14-23(27(3,4)5)34-25-21(33-17(2)10-9-13-32)16-22(35-6)26(24(18)25)36-20-12-8-11-19(15-20)28(29,30)31/h8,11-12,14-17,33H,7,9-10,13,32H2,1-6H3