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

Systemtic Name: O1-tert-butyl O2-ethyl 6-fluoranyl-3-(phenacylamino)indole-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-ethyl 6-fluoro-3-(phenacylamino)indole-1,2-dicarboxylate CAS Name: 6-fluoro-3-(phenacylamino)indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester IUPAC Name: 1-O-tert-butyl 2-O-ethyl 6-fluoro-3-(phenacylamino)indole-1,2-dicarboxylate Traditional Name: 6-fluoro-3-(phenacylamino)indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester Formula: C24H25FN2O5 MolecularWeight: 440.464103

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)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)F)NCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H25FN2O5/c1-5-31-22(29)21-20(26-14-19(28)15-9-7-6-8-10-15)17-12-11-16(25)13-18(17)27(21)23(30)32-24(2,3)4/h6-13,26H,5,14H2,1-4H3