4-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-6-ethoxy-2-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-6-ethoxy-2-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-6-ethoxy-2-oxo-quinoline-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-6-ethoxy-2-oxo-3-quinolinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-6-ethoxy-2-oxoquinoline-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-ethoxy-2-keto-1-piperonyl-quinoline-3-carboxylic acid Formula: C27H21NO8 MolecularWeight: 487.45754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=O)C(=C2C3=CC4=C(C=C3)OCO4)C(=O)O)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=O)C(=C2C3=CC4=C(C=C3)OCO4)C(=O)O)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H21NO8/c1-2-32-17-5-6-19-18(11-17)24(16-4-8-21-23(10-16)36-14-34-21)25(27(30)31)26(29)28(19)12-15-3-7-20-22(9-15)35-13-33-20/h3-11H,2,12-14H2,1H3,(H,30,31)