methyl 3-(2-azanyl-2-oxidanylidene-ethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate

Systemtic Name: methyl 3-(2-azanyl-2-oxidanylidene-ethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate Openeye Name: methyl 3-(2-amino-2-oxo-ethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate CAS Name: 3-(2-amino-2-oxoethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-amino-2-oxoethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate Traditional Name: 3-(2-amino-2-keto-ethyl)-1-[4-(trifluoromethyl)benzyl]indole-5-carboxylic acid methyl ester Formula: C20H17F3N2O3 MolecularWeight: 390.35579

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C=C2CC(=O)N)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C=C2CC(=O)N)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H17F3N2O3/c1-28-19(27)13-4-7-17-16(8-13)14(9-18(24)26)11-25(17)10-12-2-5-15(6-3-12)20(21,22)23/h2-8,11H,9-10H2,1H3,(H2,24,26)