2-[4-[[3-(8-chloranyl-3-methyl-cinnolin-4-yl)phenoxy]methyl]phenyl]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[[3-(8-chloranyl-3-methyl-cinnolin-4-yl)phenoxy]methyl]phenyl]-2-methyl-propanoic acid Openeye Name: 2-[4-[[3-(8-chloro-3-methyl-cinnolin-4-yl)phenoxy]methyl]phenyl]-2-methyl-propanoic acid CAS Name: 2-[4-[[3-(8-chloro-3-methyl-4-cinnolinyl)phenoxy]methyl]phenyl]-2-methylpropanoic acid IUPAC Name: 2-[4-[[3-(8-chloro-3-methylcinnolin-4-yl)phenoxy]methyl]phenyl]-2-methylpropanoic acid Traditional Name: 2-[4-[[3-(8-chloro-3-methyl-cinnolin-4-yl)phenoxy]methyl]phenyl]-2-methyl-propionic acid Formula: C26H23ClN2O3 MolecularWeight: 446.92542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2C(=C1C3=CC(=CC=C3)OCC4=CC=C(C=C4)C(C)(C)C(=O)O)C=CC=C2Cl

Isomeric SMILES

CC1=NN=C2C(=C1C3=CC(=CC=C3)OCC4=CC=C(C=C4)C(C)(C)C(=O)O)C=CC=C2Cl

InChI

InChI=1S/C26H23ClN2O3/c1-16-23(21-8-5-9-22(27)24(21)29-28-16)18-6-4-7-20(14-18)32-15-17-10-12-19(13-11-17)26(2,3)25(30)31/h4-14H,15H2,1-3H3,(H,30,31)