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

Systemtic Name: 3-[3-(3,3-dimethylbutanoyl)-1-methyl-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-(3,3-dimethylbutanoyl)-1-methyl-5-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(3,3-dimethyl-1-oxobutyl)-1-methyl-5-(2-quinolinylmethoxy)-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-(3,3-dimethylbutanoyl)-1-methyl-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(3,3-dimethylbutanoyl)-1-methyl-5-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propionic acid Formula: C30H34N2O4 MolecularWeight: 486.60196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N2O4/c1-29(2,3)17-26(33)27-22-15-21(36-18-20-12-11-19-9-7-8-10-23(19)31-20)13-14-24(22)32(6)25(27)16-30(4,5)28(34)35/h7-15H,16-18H2,1-6H3,(H,34,35)