2-methoxyethyl 1,2-dimethyl-5-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]indole-3-carboxylate

Systemtic Name: 2-methoxyethyl 1,2-dimethyl-5-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]indole-3-carboxylate Openeye Name: 2-methoxyethyl 1,2-dimethyl-5-[(2,3,4,5,6-pentafluorophenyl)methoxy]indole-3-carboxylate CAS Name: 1,2-dimethyl-5-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-indolecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 1,2-dimethyl-5-[(2,3,4,5,6-pentafluorophenyl)methoxy]indole-3-carboxylate Traditional Name: 1,2-dimethyl-5-(2,3,4,5,6-pentafluorobenzyl)oxy-indole-3-carboxylic acid 2-methoxyethyl ester Formula: C21H18F5NO4 MolecularWeight: 443.363936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C=CC(=C2)OCC3=C(C(=C(C(=C3F)F)F)F)F)C(=O)OCCOC

Isomeric SMILES

CC1=C(C2=C(N1C)C=CC(=C2)OCC3=C(C(=C(C(=C3F)F)F)F)F)C(=O)OCCOC

InChI

InChI=1S/C21H18F5NO4/c1-10-15(21(28)30-7-6-29-3)12-8-11(4-5-14(12)27(10)2)31-9-13-16(22)18(24)20(26)19(25)17(13)23/h4-5,8H,6-7,9H2,1-3H3