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

Systemtic Name: butyl 3-[[(2-methyl-8-oxidanyl-quinolin-7-yl)-pyridin-3-yl-methyl]amino]benzoate Openeye Name: butyl 3-[[(8-hydroxy-2-methyl-7-quinolyl)-(3-pyridyl)methyl]amino]benzoate CAS Name: 3-[[(8-hydroxy-2-methyl-7-quinolinyl)-(3-pyridinyl)methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-3-ylmethyl]amino]benzoate Traditional Name: 3-[[(8-hydroxy-2-methyl-7-quinolyl)-(3-pyridyl)methyl]amino]benzoic acid butyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3/c1-3-4-15-33-27(32)20-7-5-9-22(16-20)30-24(21-8-6-14-28-17-21)23-13-12-19-11-10-18(2)29-25(19)26(23)31/h5-14,16-17,24,30-31H,3-4,15H2,1-2H3