tert-butyl 8-chloranyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]-1H-pyrrolo[2,3-f]isoquinoline-3-carboxylate

Systemtic Name: tert-butyl 8-chloranyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]-1H-pyrrolo[2,3-f]isoquinoline-3-carboxylate Openeye Name: tert-butyl 2-[(tert-butoxycarbonylamino)oxymethyl]-8-chloro-1H-pyrrolo[2,3-f]isoquinoline-3-carboxylate CAS Name: 8-chloro-2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]oxymethyl]-1H-pyrrolo[2,3-f]isoquinoline-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-chloro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]-1H-pyrrolo[2,3-f]isoquinoline-3-carboxylate Traditional Name: 2-[(tert-butoxycarbonylamino)oxymethyl]-8-chloro-1H-pyrrol[2,3-f]isoquinoline-3-carboxylic acid tert-butyl ester Formula: C22H26ClN3O5 MolecularWeight: 447.91194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(NC2=C1C=CC3=CN=C(C=C32)Cl)CONC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(NC2=C1C=CC3=CN=C(C=C32)Cl)CONC(=O)OC(C)(C)C

InChI

InChI=1S/C22H26ClN3O5/c1-21(2,3)30-19(27)17-13-8-7-12-10-24-16(23)9-14(12)18(13)25-15(17)11-29-26-20(28)31-22(4,5)6/h7-10,25H,11H2,1-6H3,(H,26,28)