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

Systemtic Name: 1-[4-[[2,6-dimethyl-3,4-bis(oxidanyl)phenyl]amino]-8-methoxy-quinolin-3-yl]butan-1-one Openeye Name: 1-[4-(3,4-dihydroxy-2,6-dimethyl-anilino)-8-methoxy-3-quinolyl]butan-1-one CAS Name: 1-[4-(3,4-dihydroxy-2,6-dimethylanilino)-8-methoxy-3-quinolinyl]-1-butanone IUPAC Name: 1-[4-(3,4-dihydroxy-2,6-dimethylanilino)-8-methoxyquinolin-3-yl]butan-1-one Traditional Name: 1-[4-(3,4-dihydroxy-2,6-dimethyl-anilino)-8-methoxy-3-quinolyl]butan-1-one Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=C(C(=C(C=C3C)O)O)C)C=CC=C2OC

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=C(C(=C(C=C3C)O)O)C)C=CC=C2OC

InChI

InChI=1S/C22H24N2O4/c1-5-7-16(25)15-11-23-21-14(8-6-9-18(21)28-4)20(15)24-19-12(2)10-17(26)22(27)13(19)3/h6,8-11,26-27H,5,7H2,1-4H3,(H,23,24)