2-(4-chloranyl-3-oxidanyl-phenyl)-2-(3-ethoxycarbonyl-2-methyl-indol-1-yl)ethanoic acid

Systemtic Name: 2-(4-chloranyl-3-oxidanyl-phenyl)-2-(3-ethoxycarbonyl-2-methyl-indol-1-yl)ethanoic acid Openeye Name: 2-(4-chloro-3-hydroxy-phenyl)-2-(3-ethoxycarbonyl-2-methyl-indol-1-yl)acetic acid CAS Name: 2-(4-chloro-3-hydroxyphenyl)-2-(3-ethoxycarbonyl-2-methyl-1-indolyl)acetic acid IUPAC Name: 2-(4-chloro-3-hydroxyphenyl)-2-(3-ethoxycarbonyl-2-methylindol-1-yl)acetic acid Traditional Name: 2-(3-carbethoxy-2-methyl-indol-1-yl)-2-(4-chloro-3-hydroxy-phenyl)acetic acid Formula: C20H18ClNO5 MolecularWeight: 387.81362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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