hexyl 4-[[(4-fluorophenyl)-(8-oxidanylquinolin-7-yl)methyl]amino]benzoate

Systemtic Name: hexyl 4-[[(4-fluorophenyl)-(8-oxidanylquinolin-7-yl)methyl]amino]benzoate Openeye Name: hexyl 4-[[(4-fluorophenyl)-(8-hydroxy-7-quinolyl)methyl]amino]benzoate CAS Name: 4-[[(4-fluorophenyl)-(8-hydroxy-7-quinolinyl)methyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate Traditional Name: 4-[[(4-fluorophenyl)-(8-hydroxy-7-quinolyl)methyl]amino]benzoic acid hexyl ester Formula: C29H29FN2O3 MolecularWeight: 472.550563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(C2=CC=C(C=C2)F)C3=C(C4=C(C=CC=N4)C=C3)O

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(C2=CC=C(C=C2)F)C3=C(C4=C(C=CC=N4)C=C3)O

InChI

InChI=1S/C29H29FN2O3/c1-2-3-4-5-19-35-29(34)22-10-15-24(16-11-22)32-26(21-8-13-23(30)14-9-21)25-17-12-20-7-6-18-31-27(20)28(25)33/h6-18,26,32-33H,2-5,19H2,1H3