2-[4-chloranyl-2-(4-ethoxy-3-methoxy-phenyl)-7-methyl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[4-chloranyl-2-(4-ethoxy-3-methoxy-phenyl)-7-methyl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[4-chloro-2-(4-ethoxy-3-methoxy-phenyl)-7-methyl-1H-indol-3-yl]acetic acid CAS Name: 2-[4-chloro-2-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[4-chloro-2-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid Traditional Name: 2-[4-chloro-2-(4-ethoxy-3-methoxy-phenyl)-7-methyl-1H-indol-3-yl]acetic acid Formula: C20H20ClNO4 MolecularWeight: 373.8301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C(C3=C(C=CC(=C3N2)C)Cl)CC(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C(C3=C(C=CC(=C3N2)C)Cl)CC(=O)O)OC

InChI

InChI=1S/C20H20ClNO4/c1-4-26-15-8-6-12(9-16(15)25-3)20-13(10-17(23)24)18-14(21)7-5-11(2)19(18)22-20/h5-9,22H,4,10H2,1-3H3,(H,23,24)