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

Systemtic Name: 1-[8-(hydroxymethyl)-4-[(2-methyl-4-oxidanyl-phenyl)amino]quinolin-3-yl]butan-1-one Openeye Name: 1-[8-(hydroxymethyl)-4-(4-hydroxy-2-methyl-anilino)-3-quinolyl]butan-1-one CAS Name: 1-[8-(hydroxymethyl)-4-(4-hydroxy-2-methylanilino)-3-quinolinyl]-1-butanone IUPAC Name: 1-[8-(hydroxymethyl)-4-(4-hydroxy-2-methylanilino)quinolin-3-yl]butan-1-one Traditional Name: 1-[4-(4-hydroxy-2-methyl-anilino)-8-methylol-3-quinolyl]butan-1-one Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)O)C)C=CC=C2CO

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)O)C)C=CC=C2CO

InChI

InChI=1S/C21H22N2O3/c1-3-5-19(26)17-11-22-20-14(12-24)6-4-7-16(20)21(17)23-18-9-8-15(25)10-13(18)2/h4,6-11,24-25H,3,5,12H2,1-2H3,(H,22,23)