tert-butyl 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-2-bromanyl-indole-1-carboxylate

Systemtic Name: tert-butyl 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-2-bromanyl-indole-1-carboxylate Openeye Name: tert-butyl 2-bromo-3-[2-(1,3-dioxoisoindolin-2-yl)ethyl]indole-1-carboxylate CAS Name: 2-bromo-3-[2-(1,3-dioxo-2-isoindolyl)ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]indole-1-carboxylate Traditional Name: 2-bromo-3-(2-phthalimidoethyl)indole-1-carboxylic acid tert-butyl ester Formula: C23H21BrN2O4 MolecularWeight: 469.32784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1Br)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1Br)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H21BrN2O4/c1-23(2,3)30-22(29)26-18-11-7-6-8-14(18)15(19(26)24)12-13-25-20(27)16-9-4-5-10-17(16)21(25)28/h4-11H,12-13H2,1-3H3