dicyclohexylazanium; (3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-7-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: dicyclohexylazanium; (3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-7-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-tert-butoxycarbonyl-7-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylate; dicyclohexylammonium CAS Name: dicyclohexylammonium; (3R)-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-7-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: dicyclohexylazanium; (3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-7-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-tert-butoxycarbonyl-7-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylate; dicyclohexylammonium Formula: C27H41N3O6 MolecularWeight: 503.63094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)[O-])C=CC(=C2)[N+](=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(C[C@@H]1C(=O)[O-])C=CC(=C2)[N+](=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C15H18N2O6.C12H23N/c1-15(2,3)23-14(20)16-8-10-6-11(17(21)22)5-4-9(10)7-12(16)13(18)19;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,12H,7-8H2,1-3H3,(H,18,19);11-13H,1-10H2/t12-;/m1./s1