ethyl 5-fluoranyl-3-[(3,4,5-trimethoxyphenyl)carbonylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-fluoranyl-3-[(3,4,5-trimethoxyphenyl)carbonylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-fluoro-3-[(3,4,5-trimethoxybenzoyl)amino]-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-fluoro-3-[(3,4,5-trimethoxybenzoyl)amino]-1H-indole-2-carboxylate Traditional Name: 5-fluoro-3-[(3,4,5-trimethoxybenzoyl)amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C21H21FN2O6 MolecularWeight: 416.399643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H21FN2O6/c1-5-30-21(26)18-17(13-10-12(22)6-7-14(13)23-18)24-20(25)11-8-15(27-2)19(29-4)16(9-11)28-3/h6-10,23H,5H2,1-4H3,(H,24,25)