tert-butyl 2-[[4-(4-acetyloxy-3-chloranyl-phenyl)phenoxy]methyl]-6-fluoranyl-indole-1-carboxylate

Systemtic Name: tert-butyl 2-[[4-(4-acetyloxy-3-chloranyl-phenyl)phenoxy]methyl]-6-fluoranyl-indole-1-carboxylate Openeye Name: tert-butyl 2-[[4-(4-acetoxy-3-chloro-phenyl)phenoxy]methyl]-6-fluoro-indole-1-carboxylate CAS Name: 2-[[4-(4-acetyloxy-3-chlorophenyl)phenoxy]methyl]-6-fluoro-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(4-acetyloxy-3-chlorophenyl)phenoxy]methyl]-6-fluoroindole-1-carboxylate Traditional Name: 2-[[4-(4-acetoxy-3-chloro-phenyl)phenoxy]methyl]-6-fluoro-indole-1-carboxylic acid tert-butyl ester Formula: C28H25ClFNO5 MolecularWeight: 509.953203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2=CC=C(C=C2)OCC3=CC4=C(N3C(=O)OC(C)(C)C)C=C(C=C4)F)Cl

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2=CC=C(C=C2)OCC3=CC4=C(N3C(=O)OC(C)(C)C)C=C(C=C4)F)Cl

InChI

InChI=1S/C28H25ClFNO5/c1-17(32)35-26-12-8-19(14-24(26)29)18-6-10-23(11-7-18)34-16-22-13-20-5-9-21(30)15-25(20)31(22)27(33)36-28(2,3)4/h5-15H,16H2,1-4H3