2-(3-chloranyl-5-oxidanyl-phenyl)-2-(3-ethoxycarbonyl-2-methyl-indol-1-yl)ethanoic acid

Systemtic Name: 2-(3-chloranyl-5-oxidanyl-phenyl)-2-(3-ethoxycarbonyl-2-methyl-indol-1-yl)ethanoic acid Openeye Name: 2-(3-chloro-5-hydroxy-phenyl)-2-(3-ethoxycarbonyl-2-methyl-indol-1-yl)acetic acid CAS Name: 2-(3-chloro-5-hydroxyphenyl)-2-(3-ethoxycarbonyl-2-methyl-1-indolyl)acetic acid IUPAC Name: 2-(3-chloro-5-hydroxyphenyl)-2-(3-ethoxycarbonyl-2-methylindol-1-yl)acetic acid Traditional Name: 2-(3-carbethoxy-2-methyl-indol-1-yl)-2-(3-chloro-5-hydroxy-phenyl)acetic acid Formula: C20H18ClNO5 MolecularWeight: 387.81362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC=CC=C21)C(C3=CC(=CC(=C3)Cl)O)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC=CC=C21)C(C3=CC(=CC(=C3)Cl)O)C(=O)O)C

InChI

InChI=1S/C20H18ClNO5/c1-3-27-20(26)17-11(2)22(16-7-5-4-6-15(16)17)18(19(24)25)12-8-13(21)10-14(23)9-12/h4-10,18,23H,3H2,1-2H3,(H,24,25)