tert-butyl 3-[4-bromanyl-1-methyl-2,5-bis(oxidanylidene)pyrrol-3-yl]-7-(diphenylmethyl)oxy-indole-1-carboxylate

Systemtic Name: tert-butyl 3-[4-bromanyl-1-methyl-2,5-bis(oxidanylidene)pyrrol-3-yl]-7-(diphenylmethyl)oxy-indole-1-carboxylate Openeye Name: tert-butyl 7-benzhydryloxy-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)-7-(diphenylmethyl)oxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-benzhydryloxy-3-(4-bromo-1-methyl-2,5-dioxopyrrol-3-yl)indole-1-carboxylate Traditional Name: 7-benzhydryloxy-3-(4-bromo-2,5-diketo-1-methyl-3-pyrrolin-3-yl)indole-1-carboxylic acid tert-butyl ester Formula: C31H27BrN2O5 MolecularWeight: 587.46048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C(=CC=C2)OC(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C(=O)N(C5=O)C)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C(=CC=C2)OC(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C(=O)N(C5=O)C)Br

InChI

InChI=1S/C31H27BrN2O5/c1-31(2,3)39-30(37)34-18-22(24-25(32)29(36)33(4)28(24)35)21-16-11-17-23(26(21)34)38-27(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-18,27H,1-4H3