1-[4-[[5-(hydroxymethyl)-2-methyl-phenyl]amino]-8-methoxy-quinolin-3-yl]butan-1-one

Systemtic Name: 1-[4-[[5-(hydroxymethyl)-2-methyl-phenyl]amino]-8-methoxy-quinolin-3-yl]butan-1-one Openeye Name: 1-[4-[5-(hydroxymethyl)-2-methyl-anilino]-8-methoxy-3-quinolyl]butan-1-one CAS Name: 1-[4-[5-(hydroxymethyl)-2-methylanilino]-8-methoxy-3-quinolinyl]-1-butanone IUPAC Name: 1-[4-[5-(hydroxymethyl)-2-methylanilino]-8-methoxyquinolin-3-yl]butan-1-one Traditional Name: 1-[8-methoxy-4-(2-methyl-5-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=C(C=CC(=C3)CO)C)C=CC=C2OC

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=CC(=C3)CO)C)C=CC=C2OC

InChI

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