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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)NC2=C3C=CC=C(C3=NC=C2C(=O)C(C)C)CO

Isomeric SMILES

CC1=C(C=CC(=C1)O)NC2=C3C=CC=C(C3=NC=C2C(=O)C(C)C)CO

InChI

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