[8-[3-(2-ethyl-4-oxidanyl-pyrrolidin-1-yl)-3-oxidanylidene-propyl]-7-oxidanylidene-phenoxazin-3-yl] 2,2-dimethylpropanoate

Systemtic Name: [8-[3-(2-ethyl-4-oxidanyl-pyrrolidin-1-yl)-3-oxidanylidene-propyl]-7-oxidanylidene-phenoxazin-3-yl] 2,2-dimethylpropanoate Openeye Name: [8-[3-(2-ethyl-4-hydroxy-pyrrolidin-1-yl)-3-oxo-propyl]-7-oxo-phenoxazin-3-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [8-[3-(2-ethyl-4-hydroxy-1-pyrrolidinyl)-3-oxopropyl]-7-oxo-3-phenoxazinyl] ester IUPAC Name: [8-[3-(2-ethyl-4-hydroxypyrrolidin-1-yl)-3-oxopropyl]-7-oxophenoxazin-3-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [8-[3-(2-ethyl-4-hydroxy-pyrrolidino)-3-keto-propyl]-7-keto-phenoxazin-3-yl] ester Formula: C26H30N2O6 MolecularWeight: 466.5262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CN1C(=O)CCC2=CC3=NC4=C(C=C(C=C4)OC(=O)C(C)(C)C)OC3=CC2=O)O

Isomeric SMILES

CCC1CC(CN1C(=O)CCC2=CC3=NC4=C(C=C(C=C4)OC(=O)C(C)(C)C)OC3=CC2=O)O

InChI

InChI=1S/C26H30N2O6/c1-5-16-11-17(29)14-28(16)24(31)9-6-15-10-20-23(13-21(15)30)34-22-12-18(7-8-19(22)27-20)33-25(32)26(2,3)4/h7-8,10,12-13,16-17,29H,5-6,9,11,14H2,1-4H3