hexyl 4-[[(2-methyl-8-oxidanyl-quinolin-7-yl)-pyridin-3-yl-methyl]amino]benzoate

Systemtic Name: hexyl 4-[[(2-methyl-8-oxidanyl-quinolin-7-yl)-pyridin-3-yl-methyl]amino]benzoate Openeye Name: hexyl 4-[[(8-hydroxy-2-methyl-7-quinolyl)-(3-pyridyl)methyl]amino]benzoate CAS Name: 4-[[(8-hydroxy-2-methyl-7-quinolinyl)-(3-pyridinyl)methyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-3-ylmethyl]amino]benzoate Traditional Name: 4-[[(8-hydroxy-2-methyl-7-quinolyl)-(3-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=CN=CC=C2)C3=C(C4=C(C=CC(=N4)C)C=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O3/c1-3-4-5-6-18-35-29(34)22-11-14-24(15-12-22)32-26(23-8-7-17-30-19-23)25-16-13-21-10-9-20(2)31-27(21)28(25)33/h7-17,19,26,32-33H,3-6,18H2,1-2H3