2-(1,3-benzodioxol-5-yl)-2-[4-[(4-chloranylimidazo[4,5-c]pyridin-3-yl)methyl]-2,6-dipropyl-phenoxy]ethanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-[4-[(4-chloranylimidazo[4,5-c]pyridin-3-yl)methyl]-2,6-dipropyl-phenoxy]ethanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-[4-[(4-chloroimidazo[4,5-c]pyridin-3-yl)methyl]-2,6-dipropyl-phenoxy]acetic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-2-[4-[(4-chloro-3-imidazo[4,5-c]pyridinyl)methyl]-2,6-dipropylphenoxy]acetic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-[4-[(4-chloroimidazo[4,5-c]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]acetic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-[4-[(4-chloroimidazo[4,5-c]pyridin-3-yl)methyl]-2,6-dipropyl-phenoxy]acetic acid Formula: C28H28ClN3O5 MolecularWeight: 521.99202

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1OC(C2=CC3=C(C=C2)OCO3)C(=O)O)CCC)CN4C=NC5=C4C(=NC=C5)Cl

Isomeric SMILES

CCCC1=CC(=CC(=C1OC(C2=CC3=C(C=C2)OCO3)C(=O)O)CCC)CN4C=NC5=C4C(=NC=C5)Cl

InChI

InChI=1S/C28H28ClN3O5/c1-3-5-18-11-17(14-32-15-31-21-9-10-30-27(29)24(21)32)12-19(6-4-2)25(18)37-26(28(33)34)20-7-8-22-23(13-20)36-16-35-22/h7-13,15,26H,3-6,14,16H2,1-2H3,(H,33,34)