[2-[[6-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2-butyl-imidazo[4,5-b]pyridin-3-yl]methyl]-6-phenyl-phenyl] tert-butyl carbonate

Systemtic Name: [2-[[6-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2-butyl-imidazo[4,5-b]pyridin-3-yl]methyl]-6-phenyl-phenyl] tert-butyl carbonate Openeye Name: tert-butyl [2-[[2-butyl-6-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-6-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-imidazo[4,5-b]pyridinyl]methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[[2-butyl-6-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[[2-butyl-6-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-6-phenyl-phenyl] ester Formula: C36H40N4O5 MolecularWeight: 608.7266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC(=CN=C2N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)N5C(=O)C6CCCCC6C5=O

Isomeric SMILES

CCCCC1=NC2=CC(=CN=C2N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)N5C(=O)C6CCCCC6C5=O

InChI

InChI=1S/C36H40N4O5/c1-5-6-19-30-38-29-20-25(40-33(41)27-16-10-11-17-28(27)34(40)42)21-37-32(29)39(30)22-24-15-12-18-26(23-13-8-7-9-14-23)31(24)44-35(43)45-36(2,3)4/h7-9,12-15,18,20-21,27-28H,5-6,10-11,16-17,19,22H2,1-4H3