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

Systemtic Name: 1-[8-(hydroxymethyl)-4-[(2-methyl-4-oxidanyl-phenyl)amino]quinolin-3-yl]propan-1-one Openeye Name: 1-[8-(hydroxymethyl)-4-(4-hydroxy-2-methyl-anilino)-3-quinolyl]propan-1-one CAS Name: 1-[8-(hydroxymethyl)-4-(4-hydroxy-2-methylanilino)-3-quinolinyl]-1-propanone IUPAC Name: 1-[8-(hydroxymethyl)-4-(4-hydroxy-2-methylanilino)quinolin-3-yl]propan-1-one Traditional Name: 1-[4-(4-hydroxy-2-methyl-anilino)-8-methylol-3-quinolyl]propan-1-one Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3/c1-3-18(25)16-10-21-19-13(11-23)5-4-6-15(19)20(16)22-17-8-7-14(24)9-12(17)2/h4-10,23-24H,3,11H2,1-2H3,(H,21,22)