hexyl 4-[[(8-oxidanylquinolin-7-yl)-pyridin-2-yl-methyl]amino]benzoate

Systemtic Name: hexyl 4-[[(8-oxidanylquinolin-7-yl)-pyridin-2-yl-methyl]amino]benzoate Openeye Name: hexyl 4-[[(8-hydroxy-7-quinolyl)-(2-pyridyl)methyl]amino]benzoate CAS Name: 4-[[(8-hydroxy-7-quinolinyl)-(2-pyridinyl)methyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[(8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate Traditional Name: 4-[[(8-hydroxy-7-quinolyl)-(2-pyridyl)methyl]amino]benzoic acid hexyl ester Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CC=N4

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CC=N4

InChI

InChI=1S/C28H29N3O3/c1-2-3-4-7-19-34-28(33)21-11-14-22(15-12-21)31-26(24-10-5-6-17-29-24)23-16-13-20-9-8-18-30-25(20)27(23)32/h5-6,8-18,26,31-32H,2-4,7,19H2,1H3