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O1-tert-butyl O2-ethyl 3-(phenacylamino)-6-(trifluoromethyl)indole-1,2-dicarboxylate

O1-tert-butyl O2-ethyl 3-(phenacylamino)-6-(trifluoromethyl)indole-1,2-dicarboxylate

Systemtic Name:O1-tert-butyl O2-ethyl 3-(phenacylamino)-6-(trifluoromethyl)indole-1,2-dicarboxylate
Openeye Name:O1-tert-butyl O2-ethyl 3-(phenacylamino)-6-(trifluoromethyl)indole-1,2-dicarboxylate
CAS Name:3-(phenacylamino)-6-(trifluoromethyl)indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester
IUPAC Name:1-O-tert-butyl 2-O-ethyl 3-(phenacylamino)-6-(trifluoromethyl)indole-1,2-dicarboxylate
Traditional Name:3-(phenacylamino)-6-(trifluoromethyl)indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester
Formula: C25H25F3N2O5
MolecularWeight: 490.47161
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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)NCC(=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)NCC(=O)C3=CC=CC=C3


InChI

InChI=1S/C25H25F3N2O5/c1-5-34-22(32)21-20(29-14-19(31)15-9-7-6-8-10-15)17-12-11-16(25(26,27)28)13-18(17)30(21)23(33)35-24(2,3)4/h6-13,29H,5,14H2,1-4H3


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