2-[2-[(1S,2R,3S)-3-(1,3-benzodioxol-5-yl)-2-carboxy-6-propoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-phenoxy]pyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(1S,2R,3S)-3-(1,3-benzodioxol-5-yl)-2-carboxy-6-propoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-phenoxy]pyridine-3-carboxylic acid Openeye Name: 2-[2-[(1S,2R,3S)-3-(1,3-benzodioxol-5-yl)-2-carboxy-6-propoxy-indan-1-yl]-5-methoxy-phenoxy]pyridine-3-carboxylic acid CAS Name: 2-[2-[(1S,2R,3S)-3-(1,3-benzodioxol-5-yl)-2-carboxy-6-propoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxyphenoxy]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[(1S,2R,3S)-3-(1,3-benzodioxol-5-yl)-2-carboxy-6-propoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxyphenoxy]pyridine-3-carboxylic acid Traditional Name: 2-[2-[(1S,2R,3S)-3-(1,3-benzodioxol-5-yl)-2-carboxy-6-propoxy-indan-1-yl]-5-methoxy-phenoxy]nicotinic acid Formula: C33H29NO9 MolecularWeight: 583.58466

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(C(C2C3=C(C=C(C=C3)OC)OC4=C(C=CC=N4)C(=O)O)C(=O)O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCCOC1=CC2=C(C=C1)[C@@H]([C@H]([C@@H]2C3=C(C=C(C=C3)OC)OC4=C(C=CC=N4)C(=O)O)C(=O)O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C33H29NO9/c1-3-13-40-20-8-9-21-24(15-20)29(30(33(37)38)28(21)18-6-11-25-27(14-18)42-17-41-25)22-10-7-19(39-2)16-26(22)43-31-23(32(35)36)5-4-12-34-31/h4-12,14-16,28-30H,3,13,17H2,1-2H3,(H,35,36)(H,37,38)/t28-,29+,30+/m0/s1