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

Systemtic Name: hexyl 4-[[(2-methyl-8-oxidanyl-quinolin-7-yl)-pyridin-2-yl-methyl]amino]benzoate Openeye Name: hexyl 4-[[(8-hydroxy-2-methyl-7-quinolyl)-(2-pyridyl)methyl]amino]benzoate CAS Name: 4-[[(8-hydroxy-2-methyl-7-quinolinyl)-(2-pyridinyl)methyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate Traditional Name: 4-[[(8-hydroxy-2-methyl-7-quinolyl)-(2-pyridyl)methyl]amino]benzoic acid hexyl ester Formula: C29H31N3O3 MolecularWeight: 469.57474

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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)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)C=C2)O)C4=CC=CC=N4

InChI

InChI=1S/C29H31N3O3/c1-3-4-5-8-19-35-29(34)22-12-15-23(16-13-22)32-27(25-9-6-7-18-30-25)24-17-14-21-11-10-20(2)31-26(21)28(24)33/h6-7,9-18,27,32-33H,3-5,8,19H2,1-2H3