[6-(4-ethylphenyl)-2-(1-methoxy-3-methyl-butyl)quinolin-8-yl]phosphonic acid

Systemtic Name: [6-(4-ethylphenyl)-2-(1-methoxy-3-methyl-butyl)quinolin-8-yl]phosphonic acid Openeye Name: [6-(4-ethylphenyl)-2-(1-methoxy-3-methyl-butyl)-8-quinolyl]phosphonic acid CAS Name: [6-(4-ethylphenyl)-2-(1-methoxy-3-methylbutyl)-8-quinolinyl]phosphonic acid IUPAC Name: [6-(4-ethylphenyl)-2-(1-methoxy-3-methylbutyl)quinolin-8-yl]phosphonic acid Traditional Name: [6-(4-ethylphenyl)-2-(1-methoxy-3-methyl-butyl)-8-quinolyl]phosphonic acid Formula: C23H28NO4P MolecularWeight: 413.446481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=C3C(=C2)C=CC(=N3)C(CC(C)C)OC)P(=O)(O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=C3C(=C2)C=CC(=N3)C(CC(C)C)OC)P(=O)(O)O

InChI

InChI=1S/C23H28NO4P/c1-5-16-6-8-17(9-7-16)19-13-18-10-11-20(21(28-4)12-15(2)3)24-23(18)22(14-19)29(25,26)27/h6-11,13-15,21H,5,12H2,1-4H3,(H2,25,26,27)