3-methoxy-4-[(1-methyl-5-oxidanyl-4-oxidanylidene-6-prop-2-enyl-quinolin-7-yl)oxymethyl]benzoic acid

Systemtic Name: 3-methoxy-4-[(1-methyl-5-oxidanyl-4-oxidanylidene-6-prop-2-enyl-quinolin-7-yl)oxymethyl]benzoic acid Openeye Name: 4-[(6-allyl-5-hydroxy-1-methyl-4-oxo-7-quinolyl)oxymethyl]-3-methoxy-benzoic acid CAS Name: 4-[(5-hydroxy-1-methyl-4-oxo-6-prop-2-enyl-7-quinolinyl)oxymethyl]-3-methoxybenzoic acid IUPAC Name: 4-[(5-hydroxy-1-methyl-4-oxo-6-prop-2-enylquinolin-7-yl)oxymethyl]-3-methoxybenzoic acid Traditional Name: 4-[(6-allyl-5-hydroxy-4-keto-1-methyl-7-quinolyl)oxymethyl]-3-methoxy-benzoic acid Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=O)C2=C(C(=C(C=C21)OCC3=C(C=C(C=C3)C(=O)O)OC)CC=C)O

Isomeric SMILES

CN1C=CC(=O)C2=C(C(=C(C=C21)OCC3=C(C=C(C=C3)C(=O)O)OC)CC=C)O

InChI

InChI=1S/C22H21NO6/c1-4-5-15-19(11-16-20(21(15)25)17(24)8-9-23(16)2)29-12-14-7-6-13(22(26)27)10-18(14)28-3/h4,6-11,25H,1,5,12H2,2-3H3,(H,26,27)