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

Systemtic Name: 1-[4-[[3-(hydroxymethyl)-2-methyl-phenyl]amino]-8-methoxy-quinolin-3-yl]butan-1-one Openeye Name: 1-[4-[3-(hydroxymethyl)-2-methyl-anilino]-8-methoxy-3-quinolyl]butan-1-one CAS Name: 1-[4-[3-(hydroxymethyl)-2-methylanilino]-8-methoxy-3-quinolinyl]-1-butanone IUPAC Name: 1-[4-[3-(hydroxymethyl)-2-methylanilino]-8-methoxyquinolin-3-yl]butan-1-one Traditional Name: 1-[8-methoxy-4-(2-methyl-3-methylol-anilino)-3-quinolyl]butan-1-one Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3/c1-4-7-19(26)17-12-23-22-16(9-6-11-20(22)27-3)21(17)24-18-10-5-8-15(13-25)14(18)2/h5-6,8-12,25H,4,7,13H2,1-3H3,(H,23,24)