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

Systemtic Name: tert-butyl 3-[1-methyl-2,5-bis(oxidanylidene)-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrol-3-yl]indole-1-carboxylate Openeye Name: tert-butyl 3-[4-(5-benzyloxy-1H-indol-3-yl)-1-methyl-2,5-dioxo-pyrrol-3-yl]indole-1-carboxylate CAS Name: 3-[1-methyl-2,5-dioxo-4-(5-phenylmethoxy-1H-indol-3-yl)-3-pyrrolyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-methyl-2,5-dioxo-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrol-3-yl]indole-1-carboxylate Traditional Name: 3-[4-(5-benzoxy-1H-indol-3-yl)-2,5-diketo-1-methyl-3-pyrrolin-3-yl]indole-1-carboxylic acid tert-butyl ester Formula: C33H29N3O5 MolecularWeight: 547.60046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3=C(C(=O)N(C3=O)C)C4=CNC5=C4C=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3=C(C(=O)N(C3=O)C)C4=CNC5=C4C=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C33H29N3O5/c1-33(2,3)41-32(39)36-18-25(22-12-8-9-13-27(22)36)29-28(30(37)35(4)31(29)38)24-17-34-26-15-14-21(16-23(24)26)40-19-20-10-6-5-7-11-20/h5-18,34H,19H2,1-4H3