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

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

Isomeric SMILES

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

InChI

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