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

Systemtic Name: 6-butoxy-3-[(3-carboxyphenyl)methyl]-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-4-oxidanylidene-quinoline-2-carboxylic acid Openeye Name: 6-butoxy-3-[(3-carboxyphenyl)methyl]-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-4-oxo-quinoline-2-carboxylic acid CAS Name: 6-butoxy-3-[(3-carboxyphenyl)methyl]-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-quinolinecarboxylic acid IUPAC Name: 6-butoxy-3-[(3-carboxyphenyl)methyl]-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-4-oxoquinoline-2-carboxylic acid Traditional Name: 6-butoxy-3-(3-carboxybenzyl)-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-4-keto-quinaldic acid Formula: C32H31NO8 MolecularWeight: 557.59044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)N(C(=C(C2=O)CC3=CC=CC(=C3)C(=O)O)C(=O)O)CC4=CC5=C(C=C4CC)OCO5

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)N(C(=C(C2=O)CC3=CC=CC(=C3)C(=O)O)C(=O)O)CC4=CC5=C(C=C4CC)OCO5

InChI

InChI=1S/C32H31NO8/c1-3-5-11-39-23-9-10-26-24(16-23)30(34)25(13-19-7-6-8-21(12-19)31(35)36)29(32(37)38)33(26)17-22-15-28-27(40-18-41-28)14-20(22)4-2/h6-10,12,14-16H,3-5,11,13,17-18H2,1-2H3,(H,35,36)(H,37,38)