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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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