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

Systemtic Name: 3-[(3-carboxyphenyl)methyl]-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-4-oxidanylidene-6-propoxy-quinoline-2-carboxylic acid Openeye Name: 3-[(3-carboxyphenyl)methyl]-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-4-oxo-6-propoxy-quinoline-2-carboxylic acid CAS Name: 3-[(3-carboxyphenyl)methyl]-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-4-oxo-6-propoxy-2-quinolinecarboxylic acid IUPAC Name: 3-[(3-carboxyphenyl)methyl]-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-4-oxo-6-propoxyquinoline-2-carboxylic acid Traditional Name: 3-(3-carboxybenzyl)-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-4-keto-6-propoxy-quinaldic acid Formula: C31H29NO8 MolecularWeight: 543.56386

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=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

CCCOC1=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/C31H29NO8/c1-3-10-38-22-8-9-25-23(15-22)29(33)24(12-18-6-5-7-20(11-18)30(34)35)28(31(36)37)32(25)16-21-14-27-26(39-17-40-27)13-19(21)4-2/h5-9,11,13-15H,3-4,10,12,16-17H2,1-2H3,(H,34,35)(H,36,37)