dicyclohexylazanium; 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: dicyclohexylazanium; 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: 2-(benzyloxycarbonylamino)-3-(4-tert-butoxyphenyl)propanoate; dicyclohexylammonium CAS Name: dicyclohexylammonium; 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate IUPAC Name: dicyclohexylazanium; 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(4-tert-butoxyphenyl)propionate; dicyclohexylammonium Formula: C33H48N2O5 MolecularWeight: 552.74462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)OCC2=CC=CC=C2.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)OCC2=CC=CC=C2.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C21H25NO5.C12H23N/c1-21(2,3)27-17-11-9-15(10-12-17)13-18(19(23)24)22-20(25)26-14-16-7-5-4-6-8-16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24);11-13H,1-10H2