O1-tert-butyl O2-ethyl 3-[(3-oxidanylidene-3-phenyl-propyl)amino]-6-(trifluoromethyl)indole-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-ethyl 3-[(3-oxidanylidene-3-phenyl-propyl)amino]-6-(trifluoromethyl)indole-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-ethyl 3-[(3-oxo-3-phenyl-propyl)amino]-6-(trifluoromethyl)indole-1,2-dicarboxylate CAS Name: 3-[(3-oxo-3-phenylpropyl)amino]-6-(trifluoromethyl)indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester IUPAC Name: 1-O-tert-butyl 2-O-ethyl 3-[(3-oxo-3-phenylpropyl)amino]-6-(trifluoromethyl)indole-1,2-dicarboxylate Traditional Name: 3-[(3-keto-3-phenyl-propyl)amino]-6-(trifluoromethyl)indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester Formula: C26H27F3N2O5 MolecularWeight: 504.49819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1C(=O)OC(C)(C)C)C=C(C=C2)C(F)(F)F)NCCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1C(=O)OC(C)(C)C)C=C(C=C2)C(F)(F)F)NCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H27F3N2O5/c1-5-35-23(33)22-21(30-14-13-20(32)16-9-7-6-8-10-16)18-12-11-17(26(27,28)29)15-19(18)31(22)24(34)36-25(2,3)4/h6-12,15,30H,5,13-14H2,1-4H3