2-[1-[(3-chlorophenyl)methyl]-2-ethyl-3-(2-oxidanylidenepropyl)indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[1-[(3-chlorophenyl)methyl]-2-ethyl-3-(2-oxidanylidenepropyl)indol-4-yl]oxyethanoic acid Openeye Name: 2-[3-acetonyl-1-[(3-chlorophenyl)methyl]-2-ethyl-indol-4-yl]oxyacetic acid CAS Name: 2-[[1-[(3-chlorophenyl)methyl]-2-ethyl-3-(2-oxopropyl)-4-indolyl]oxy]acetic acid IUPAC Name: 2-[1-[(3-chlorophenyl)methyl]-2-ethyl-3-(2-oxopropyl)indol-4-yl]oxyacetic acid Traditional Name: 2-[3-acetonyl-1-(3-chlorobenzyl)-2-ethyl-indol-4-yl]oxyacetic acid Formula: C22H22ClNO4 MolecularWeight: 399.86738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC(=CC=C3)Cl)C=CC=C2OCC(=O)O)CC(=O)C

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC(=CC=C3)Cl)C=CC=C2OCC(=O)O)CC(=O)C

InChI

InChI=1S/C22H22ClNO4/c1-3-18-17(10-14(2)25)22-19(8-5-9-20(22)28-13-21(26)27)24(18)12-15-6-4-7-16(23)11-15/h4-9,11H,3,10,12-13H2,1-2H3,(H,26,27)