1-[8-methoxy-4-[(2-methyl-4-oxidanyl-phenyl)amino]-6-oxidanyl-quinolin-3-yl]butan-1-one

Systemtic Name: 1-[8-methoxy-4-[(2-methyl-4-oxidanyl-phenyl)amino]-6-oxidanyl-quinolin-3-yl]butan-1-one Openeye Name: 1-[6-hydroxy-4-(4-hydroxy-2-methyl-anilino)-8-methoxy-3-quinolyl]butan-1-one CAS Name: 1-[6-hydroxy-4-(4-hydroxy-2-methylanilino)-8-methoxy-3-quinolinyl]-1-butanone IUPAC Name: 1-[6-hydroxy-4-(4-hydroxy-2-methylanilino)-8-methoxyquinolin-3-yl]butan-1-one Traditional Name: 1-[6-hydroxy-4-(4-hydroxy-2-methyl-anilino)-8-methoxy-3-quinolyl]butan-1-one Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C2=CC(=CC(=C2N=C1)OC)O)NC3=C(C=C(C=C3)O)C

Isomeric SMILES

CCCC(=O)C1=C(C2=CC(=CC(=C2N=C1)OC)O)NC3=C(C=C(C=C3)O)C

InChI

InChI=1S/C21H22N2O4/c1-4-5-18(26)16-11-22-21-15(9-14(25)10-19(21)27-3)20(16)23-17-7-6-13(24)8-12(17)2/h6-11,24-25H,4-5H2,1-3H3,(H,22,23)