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

Systemtic Name: 3-[4-bromanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-bis(oxidanylidene)pyrrol-3-yl]-6-phenylmethoxy-indole-1-carboxylate Openeye Name: 6-benzyloxy-3-(4-bromo-1-tert-butoxycarbonyl-2,5-dioxo-pyrrol-3-yl)indole-1-carboxylate CAS Name: 3-[4-bromo-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2,5-dioxo-3-pyrrolyl]-6-phenylmethoxy-1-indolecarboxylate IUPAC Name: 3-[4-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dioxopyrrol-3-yl]-6-phenylmethoxyindole-1-carboxylate Traditional Name: 6-benzoxy-3-(4-bromo-1-tert-butoxycarbonyl-2,5-diketo-3-pyrrolin-3-yl)indole-1-carboxylate Formula: C25H20BrN2O7- MolecularWeight: 540.3395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=O)C(=C(C1=O)Br)C2=CN(C3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=O)C(=C(C1=O)Br)C2=CN(C3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C25H21BrN2O7/c1-25(2,3)35-24(33)28-21(29)19(20(26)22(28)30)17-12-27(23(31)32)18-11-15(9-10-16(17)18)34-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,31,32)/p-1