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

Systemtic Name: 1-[4-[[2-(hydroxymethyl)phenyl]amino]-8-methoxy-quinolin-3-yl]butan-1-one Openeye Name: 1-[4-[2-(hydroxymethyl)anilino]-8-methoxy-3-quinolyl]butan-1-one CAS Name: 1-[4-[2-(hydroxymethyl)anilino]-8-methoxy-3-quinolinyl]-1-butanone IUPAC Name: 1-[4-[2-(hydroxymethyl)anilino]-8-methoxyquinolin-3-yl]butan-1-one Traditional Name: 1-[8-methoxy-4-(2-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=CC=C3CO)C=CC=C2OC

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3CO)C=CC=C2OC

InChI

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