3-[1-[(4-chlorophenyl)methyl]-5-(thieno[3,2-b]pyridin-5-ylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-5-(thieno[3,2-b]pyridin-5-ylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-5-(thieno[3,2-b]pyridin-5-ylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-5-(5-thieno[3,2-b]pyridinylmethoxy)-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-5-(thieno[3,2-b]pyridin-5-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[1-(4-chlorobenzyl)-5-(thieno[3,2-b]pyridin-5-ylmethoxy)indol-2-yl]-2,2-dimethyl-propionic acid Formula: C28H25ClN2O3S MolecularWeight: 505.0277

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)OCC4=NC5=C(C=C4)SC=C5)C(=O)O

Isomeric SMILES

CC(C)(CC1=CC2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)OCC4=NC5=C(C=C4)SC=C5)C(=O)O

InChI

InChI=1S/C28H25ClN2O3S/c1-28(2,27(32)33)15-22-13-19-14-23(34-17-21-7-10-26-24(30-21)11-12-35-26)8-9-25(19)31(22)16-18-3-5-20(29)6-4-18/h3-14H,15-17H2,1-2H3,(H,32,33)