dicyclohexylazanium; 3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: dicyclohexylazanium; 3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: 2-(benzyloxycarbonylamino)-3,3-dimethyl-butanoate; dicyclohexylammonium CAS Name: dicyclohexylammonium; 3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoate IUPAC Name: dicyclohexylazanium; 3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3,3-dimethyl-butyrate; dicyclohexylammonium Formula: C26H42N2O4 MolecularWeight: 446.62268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)[O-])NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC(C)(C)C(C(=O)[O-])NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C14H19NO4.C12H23N/c1-14(2,3)11(12(16)17)15-13(18)19-9-10-7-5-4-6-8-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);11-13H,1-10H2