tert-butyl 3-[4-bromanyl-1-methyl-2,5-bis(oxidanylidene)pyrrol-3-yl]-6-phenylmethoxy-indole-1-carboxylate

Systemtic Name: tert-butyl 3-[4-bromanyl-1-methyl-2,5-bis(oxidanylidene)pyrrol-3-yl]-6-phenylmethoxy-indole-1-carboxylate Openeye Name: tert-butyl 6-benzyloxy-3-(4-bromo-1-methyl-2,5-dioxo-pyrrol-3-yl)indole-1-carboxylate CAS Name: 3-(4-bromo-1-methyl-2,5-dioxo-3-pyrrolyl)-6-phenylmethoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-bromo-1-methyl-2,5-dioxopyrrol-3-yl)-6-phenylmethoxyindole-1-carboxylate Traditional Name: 6-benzoxy-3-(4-bromo-2,5-diketo-1-methyl-3-pyrrolin-3-yl)indole-1-carboxylic acid tert-butyl ester Formula: C25H23BrN2O5 MolecularWeight: 511.36452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=C(C=C2)OCC3=CC=CC=C3)C4=C(C(=O)N(C4=O)C)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=C(C=C2)OCC3=CC=CC=C3)C4=C(C(=O)N(C4=O)C)Br

InChI

InChI=1S/C25H23BrN2O5/c1-25(2,3)33-24(31)28-13-18(20-21(26)23(30)27(4)22(20)29)17-11-10-16(12-19(17)28)32-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3