butanedioate; N4-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine

Systemtic Name: butanedioate; N4-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine Openeye Name: butanedioate; N4-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]-8-quinolyl]pentane-1,4-diamine CAS Name: butanedioate; N4-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]-8-quinolinyl]pentane-1,4-diamine IUPAC Name: butanedioate; 4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine Traditional Name: (4-amino-1-methyl-butyl)-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]-8-quinolyl]amine; succinate Formula: C27H30F3N3O6-2 MolecularWeight: 549.53881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C(C2=NC=C1)NC(C)CCCN)OC)OC3=CC=CC(=C3)C(F)(F)F.C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C=C(C2=NC=C1)NC(C)CCCN)OC)OC3=CC=CC(=C3)C(F)(F)F.C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C23H26F3N3O2.C4H6O4/c1-14-9-11-28-21-18(29-15(2)6-5-10-27)13-19(30-3)22(20(14)21)31-17-8-4-7-16(12-17)23(24,25)26;5-3(6)1-2-4(7)8/h4,7-9,11-13,15,29H,5-6,10,27H2,1-3H3;1-2H2,(H,5,6)(H,7,8)/p-2