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

Systemtic Name: 3-[(3-carboxyphenyl)methyl]-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-4-oxidanylidene-quinoline-2-carboxylic acid Openeye Name: 3-[(3-carboxyphenyl)methyl]-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-4-oxo-quinoline-2-carboxylic acid CAS Name: 3-[(3-carboxyphenyl)methyl]-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-quinolinecarboxylic acid IUPAC Name: 3-[(3-carboxyphenyl)methyl]-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-4-oxoquinoline-2-carboxylic acid Traditional Name: 3-(3-carboxybenzyl)-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-4-keto-quinaldic acid Formula: C28H23NO7 MolecularWeight: 485.48472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1CN3C4=CC=CC=C4C(=O)C(=C3C(=O)O)CC5=CC=CC(=C5)C(=O)O)OCO2

Isomeric SMILES

CCC1=CC2=C(C=C1CN3C4=CC=CC=C4C(=O)C(=C3C(=O)O)CC5=CC=CC(=C5)C(=O)O)OCO2

InChI

InChI=1S/C28H23NO7/c1-2-17-12-23-24(36-15-35-23)13-19(17)14-29-22-9-4-3-8-20(22)26(30)21(25(29)28(33)34)11-16-6-5-7-18(10-16)27(31)32/h3-10,12-13H,2,11,14-15H2,1H3,(H,31,32)(H,33,34)