4-(1,3-benzodioxol-5-yl)-6-ethoxy-1-[(3-methoxyphenyl)methyl]-2-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6-ethoxy-1-[(3-methoxyphenyl)methyl]-2-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-6-ethoxy-1-[(3-methoxyphenyl)methyl]-2-oxo-quinoline-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-6-ethoxy-1-[(3-methoxyphenyl)methyl]-2-oxo-3-quinolinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6-ethoxy-1-[(3-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-ethoxy-2-keto-1-m-anisyl-quinoline-3-carboxylic acid Formula: C27H23NO7 MolecularWeight: 473.47402

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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=CC(=CC=C5)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=O)C(=C2C3=CC4=C(C=C3)OCO4)C(=O)O)CC5=CC(=CC=C5)OC

InChI

InChI=1S/C27H23NO7/c1-3-33-19-8-9-21-20(13-19)24(17-7-10-22-23(12-17)35-15-34-22)25(27(30)31)26(29)28(21)14-16-5-4-6-18(11-16)32-2/h4-13H,3,14-15H2,1-2H3,(H,30,31)