methyl 2-[2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboperoxoate

Systemtic Name: methyl 2-[2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboperoxoate Openeye Name: methyl 2-[3-(tert-butoxycarbonylamino)-2-methyl-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboperoxoate CAS Name: 2-[2-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboperoxoic acid methyl ester IUPAC Name: methyl 2-[2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboperoxoate Traditional Name: 2-[3-(tert-butoxycarbonylamino)-2-methyl-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboperoxoic acid methyl ester Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)OC(C)(C)C)C(=O)N1CC2=CC=CC=C2CC1C(=O)OOC

Isomeric SMILES

CC(CNC(=O)OC(C)(C)C)C(=O)N1CC2=CC=CC=C2CC1C(=O)OOC

InChI

InChI=1S/C20H28N2O6/c1-13(11-21-19(25)27-20(2,3)4)17(23)22-12-15-9-7-6-8-14(15)10-16(22)18(24)28-26-5/h6-9,13,16H,10-12H2,1-5H3,(H,21,25)