3-[[3-(1,3-benzodioxol-5-yl)-2-carboxy-3-(4-methoxyphenyl)-6-propoxy-1H-inden-2-yl]oxy]pyridine-4-carboxylic acid

Systemtic Name: 3-[[3-(1,3-benzodioxol-5-yl)-2-carboxy-3-(4-methoxyphenyl)-6-propoxy-1H-inden-2-yl]oxy]pyridine-4-carboxylic acid Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-2-carboxy-1-(4-methoxyphenyl)-5-propoxy-indan-2-yl]oxypyridine-4-carboxylic acid CAS Name: 3-[[3-(1,3-benzodioxol-5-yl)-2-carboxy-3-(4-methoxyphenyl)-6-propoxy-1H-inden-2-yl]oxy]-4-pyridinecarboxylic acid IUPAC Name: 3-[[3-(1,3-benzodioxol-5-yl)-2-carboxy-3-(4-methoxyphenyl)-6-propoxy-1H-inden-2-yl]oxy]pyridine-4-carboxylic acid Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2-carboxy-1-(4-methoxyphenyl)-5-propoxy-indan-2-yl]oxyisonicotinic acid Formula: C33H29NO9 MolecularWeight: 583.58466

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(C(C2)(C(=O)O)OC3=C(C=CN=C3)C(=O)O)(C4=CC=C(C=C4)OC)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C(C(C2)(C(=O)O)OC3=C(C=CN=C3)C(=O)O)(C4=CC=C(C=C4)OC)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C33H29NO9/c1-3-14-40-24-9-10-26-20(15-24)17-32(31(37)38,43-29-18-34-13-12-25(29)30(35)36)33(26,21-4-7-23(39-2)8-5-21)22-6-11-27-28(16-22)42-19-41-27/h4-13,15-16,18H,3,14,17,19H2,1-2H3,(H,35,36)(H,37,38)