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

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-[(3-chlorophenyl)methyl]-2-ethyl-indol-4-yl]oxyethanoic acid Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)-1-[(3-chlorophenyl)methyl]-2-ethyl-indol-4-yl]oxyacetic acid CAS Name: 2-[[3-(2-amino-2-oxoethyl)-1-[(3-chlorophenyl)methyl]-2-ethyl-4-indolyl]oxy]acetic acid IUPAC Name: 2-[3-(2-amino-2-oxoethyl)-1-[(3-chlorophenyl)methyl]-2-ethylindol-4-yl]oxyacetic acid Traditional Name: 2-[3-(2-amino-2-keto-ethyl)-1-(3-chlorobenzyl)-2-ethyl-indol-4-yl]oxyacetic acid Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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)N

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O4/c1-2-16-15(10-19(23)25)21-17(7-4-8-18(21)28-12-20(26)27)24(16)11-13-5-3-6-14(22)9-13/h3-9H,2,10-12H2,1H3,(H2,23,25)(H,26,27)