O1-tert-butyl O2-methyl 3-[[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl]amino]-6-chloranyl-indole-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl 3-[[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl]amino]-6-chloranyl-indole-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl 6-chloro-3-[[2-(3,4-difluorophenyl)-2-oxo-ethyl]amino]indole-1,2-dicarboxylate CAS Name: 6-chloro-3-[[2-(3,4-difluorophenyl)-2-oxoethyl]amino]indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl 6-chloro-3-[[2-(3,4-difluorophenyl)-2-oxoethyl]amino]indole-1,2-dicarboxylate Traditional Name: 6-chloro-3-[[2-(3,4-difluorophenyl)-2-keto-ethyl]amino]indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C23H21ClF2N2O5 MolecularWeight: 478.873046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)Cl)C(=C1C(=O)OC)NCC(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)Cl)C(=C1C(=O)OC)NCC(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C23H21ClF2N2O5/c1-23(2,3)33-22(31)28-17-10-13(24)6-7-14(17)19(20(28)21(30)32-4)27-11-18(29)12-5-8-15(25)16(26)9-12/h5-10,27H,11H2,1-4H3