O1-tert-butyl O4,O6-dimethyl 3-(chloromethyl)-2-phenyl-indole-1,4,6-tricarboxylate

Systemtic Name: O1-tert-butyl O4,O6-dimethyl 3-(chloromethyl)-2-phenyl-indole-1,4,6-tricarboxylate Openeye Name: O1-tert-butyl O4,O6-dimethyl 3-(chloromethyl)-2-phenyl-indole-1,4,6-tricarboxylate CAS Name: 3-(chloromethyl)-2-phenylindole-1,4,6-tricarboxylic acid O1-tert-butyl ester O4,O6-dimethyl ester IUPAC Name: 1-O-tert-butyl 4-O,6-O-dimethyl 3-(chloromethyl)-2-phenylindole-1,4,6-tricarboxylate Traditional Name: 3-(chloromethyl)-2-phenyl-indole-1,4,6-tricarboxylic acid O1-tert-butyl ester O4,O6-dimethyl ester Formula: C24H24ClNO6 MolecularWeight: 457.90346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC(=CC(=C2C(=C1C3=CC=CC=C3)CCl)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC(=CC(=C2C(=C1C3=CC=CC=C3)CCl)C(=O)OC)C(=O)OC

InChI

InChI=1S/C24H24ClNO6/c1-24(2,3)32-23(29)26-18-12-15(21(27)30-4)11-16(22(28)31-5)19(18)17(13-25)20(26)14-9-7-6-8-10-14/h6-12H,13H2,1-5H3