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

Systemtic Name: butyl 3-[[(2-methyl-8-oxidanyl-quinolin-7-yl)-pyridin-2-yl-methyl]amino]benzoate Openeye Name: butyl 3-[[(8-hydroxy-2-methyl-7-quinolyl)-(2-pyridyl)methyl]amino]benzoate CAS Name: 3-[[(8-hydroxy-2-methyl-7-quinolinyl)-(2-pyridinyl)methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate Traditional Name: 3-[[(8-hydroxy-2-methyl-7-quinolyl)-(2-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=C(C3=C(C=CC(=N3)C)C=C2)O)C4=CC=CC=N4

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(C2=C(C3=C(C=CC(=N3)C)C=C2)O)C4=CC=CC=N4

InChI

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