dicyclohexylazanium; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoate

Systemtic Name: dicyclohexylazanium; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoate Openeye Name: 2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoate; dicyclohexylammonium CAS Name: dicyclohexylammonium; 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-nitrophenyl)propanoate IUPAC Name: dicyclohexylazanium; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propionate; dicyclohexylammonium Formula: C26H41N3O6 MolecularWeight: 491.62024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C14H18N2O6.C12H23N/c1-14(2,3)22-13(19)15-11(12(17)18)8-9-4-6-10(7-5-9)16(20)21;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18);11-13H,1-10H2