N1-[5-(4-fluoranylphenoxy)-6-methoxy-4-methyl-quinolin-8-yl]pentane-1,4-diamine phosphate

Systemtic Name: N1-[5-(4-fluoranylphenoxy)-6-methoxy-4-methyl-quinolin-8-yl]pentane-1,4-diamine phosphate Openeye Name: N1-[5-(4-fluorophenoxy)-6-methoxy-4-methyl-8-quinolyl]pentane-1,4-diamine phosphate CAS Name: N1-[5-(4-fluorophenoxy)-6-methoxy-4-methyl-8-quinolinyl]pentane-1,4-diamine phosphate IUPAC Name: 1-N-[5-(4-fluorophenoxy)-6-methoxy-4-methylquinolin-8-yl]pentane-1,4-diamine phosphate Traditional Name: 4-aminopentyl-[5-(4-fluorophenoxy)-6-methoxy-4-methyl-8-quinolyl]amine phosphate Formula: C22H26FN3O6P-3 MolecularWeight: 478.430504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O2.H3O4P/c1-14-10-12-26-21-18(25-11-4-5-15(2)24)13-19(27-3)22(20(14)21)28-17-8-6-16(23)7-9-17;1-5(2,3)4/h6-10,12-13,15,25H,4-5,11,24H2,1-3H3;(H3,1,2,3,4)/p-3