2-[5-butyl-2-(5-chloranyl-2-methoxy-phenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-butyl-2-(5-chloranyl-2-methoxy-phenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-butyl-2-(5-chloro-2-methoxy-phenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[5-butyl-2-(5-chloro-2-methoxy-phenyl)-1H-indol-3-yl]acetic acid Formula: C21H22ClNO3 MolecularWeight: 371.85728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H22ClNO3/c1-3-4-5-13-6-8-18-15(10-13)16(12-20(24)25)21(23-18)17-11-14(22)7-9-19(17)26-2/h6-11,23H,3-5,12H2,1-2H3,(H,24,25)