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

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

Isomeric SMILES

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

InChI

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