methyl 1-[2-[[4-acetamido-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-[[4-acetamido-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[4-acetamido-2-(trifluoromethyl)anilino]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[4-acetamido-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-acetamido-2-(trifluoromethyl)anilino]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-[4-acetamido-2-(trifluoromethyl)anilino]-2-keto-ethyl]indole-3-carboxylic acid methyl ester Formula: C21H18F3N3O4 MolecularWeight: 433.38053

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)OC)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O4/c1-12(28)25-13-7-8-17(16(9-13)21(22,23)24)26-19(29)11-27-10-15(20(30)31-2)14-5-3-4-6-18(14)27/h3-10H,11H2,1-2H3,(H,25,28)(H,26,29)