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

Systemtic Name: 3-[3-(3,3-dimethylbutanoyl)-1-prop-2-enyl-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[1-allyl-3-(3,3-dimethylbutanoyl)-5-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(3,3-dimethyl-1-oxobutyl)-1-prop-2-enyl-5-(2-quinolinylmethoxy)-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-(3,3-dimethylbutanoyl)-1-prop-2-enyl-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[1-allyl-3-(3,3-dimethylbutanoyl)-5-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propionic acid Formula: C32H36N2O4 MolecularWeight: 512.63924

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)CC=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)CC=C)CC(C)(C)C(=O)O

InChI

InChI=1S/C32H36N2O4/c1-7-16-34-26-15-14-23(38-20-22-13-12-21-10-8-9-11-25(21)33-22)17-24(26)29(28(35)19-31(2,3)4)27(34)18-32(5,6)30(36)37/h7-15,17H,1,16,18-20H2,2-6H3,(H,36,37)