4-[3-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxidanylidene-quinolin-1-yl]butanoic acid

Systemtic Name: 4-[3-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxidanylidene-quinolin-1-yl]butanoic acid Openeye Name: 4-[3-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxo-1-quinolyl]butanoic acid CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxo-1-quinolinyl]butanoic acid IUPAC Name: 4-[3-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxoquinolin-1-yl]butanoic acid Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)-2-keto-6-methoxy-1-quinolyl]butyric acid Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=O)C(=C2)C3=CC4=C(C=C3)OCO4)CCCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=O)C(=C2)C3=CC4=C(C=C3)OCO4)CCCC(=O)O

InChI

InChI=1S/C21H19NO6/c1-26-15-5-6-17-14(9-15)10-16(21(25)22(17)8-2-3-20(23)24)13-4-7-18-19(11-13)28-12-27-18/h4-7,9-11H,2-3,8,12H2,1H3,(H,23,24)