N4-[5-(4-fluoranylphenoxy)-6-methoxy-4-methyl-quinolin-8-yl]pentane-1,4-diamine; hydrogen phosphate

Systemtic Name: N4-[5-(4-fluoranylphenoxy)-6-methoxy-4-methyl-quinolin-8-yl]pentane-1,4-diamine; hydrogen phosphate Openeye Name: N4-[5-(4-fluorophenoxy)-6-methoxy-4-methyl-8-quinolyl]pentane-1,4-diamine; hydrogen phosphate CAS Name: N4-[5-(4-fluorophenoxy)-6-methoxy-4-methyl-8-quinolinyl]pentane-1,4-diamine; hydrogen phosphate IUPAC Name: 4-N-[5-(4-fluorophenoxy)-6-methoxy-4-methylquinolin-8-yl]pentane-1,4-diamine; hydrogen phosphate Traditional Name: (4-amino-1-methyl-butyl)-[5-(4-fluorophenoxy)-6-methoxy-4-methyl-8-quinolyl]amine; hydrogen phosphate Formula: C22H27FN3O6P-2 MolecularWeight: 479.438444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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