3-[3-(3,3-dimethylbutyl)-5-(pyridin-2-ylmethoxy)-1-[[4-(1,3-thiazol-2-yl)phenyl]methyl]indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[3-(3,3-dimethylbutyl)-5-(pyridin-2-ylmethoxy)-1-[[4-(1,3-thiazol-2-yl)phenyl]methyl]indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-(3,3-dimethylbutyl)-5-(2-pyridylmethoxy)-1-[(4-thiazol-2-ylphenyl)methyl]indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(3,3-dimethylbutyl)-5-(2-pyridinylmethoxy)-1-[[4-(2-thiazolyl)phenyl]methyl]-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-(3,3-dimethylbutyl)-5-(pyridin-2-ylmethoxy)-1-[[4-(1,3-thiazol-2-yl)phenyl]methyl]indol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(3,3-dimethylbutyl)-5-(2-pyridylmethoxy)-1-(4-thiazol-2-ylbenzyl)indol-2-yl]-2,2-dimethyl-propionic acid Formula: C35H39N3O3S MolecularWeight: 581.76746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCC1=C(N(C2=C1C=C(C=C2)OCC3=CC=CC=N3)CC4=CC=C(C=C4)C5=NC=CS5)CC(C)(C)C(=O)O

Isomeric SMILES

CC(C)(C)CCC1=C(N(C2=C1C=C(C=C2)OCC3=CC=CC=N3)CC4=CC=C(C=C4)C5=NC=CS5)CC(C)(C)C(=O)O

InChI

InChI=1S/C35H39N3O3S/c1-34(2,3)16-15-28-29-20-27(41-23-26-8-6-7-17-36-26)13-14-30(29)38(31(28)21-35(4,5)33(39)40)22-24-9-11-25(12-10-24)32-37-18-19-42-32/h6-14,17-20H,15-16,21-23H2,1-5H3,(H,39,40)