3-[3-(3,3-dimethylbutanoyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[3-(3,3-dimethylbutanoyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-(3,3-dimethylbutanoyl)-5-(2-quinolylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(3,3-dimethyl-1-oxobutyl)-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-(3,3-dimethylbutanoyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(3,3-dimethylbutanoyl)-5-(2-quinolylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C29H32N2O4 MolecularWeight: 472.57538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)C1=C(NC2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC(C)(C)C(=O)O

Isomeric SMILES

CC(C)(C)CC(=O)C1=C(NC2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC(C)(C)C(=O)O

InChI

InChI=1S/C29H32N2O4/c1-28(2,3)16-25(32)26-21-14-20(12-13-23(21)31-24(26)15-29(4,5)27(33)34)35-17-19-11-10-18-8-6-7-9-22(18)30-19/h6-14,31H,15-17H2,1-5H3,(H,33,34)