calcium 4-[[(3-chlorophenyl)methoxycarbonylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: calcium 4-[[(3-chlorophenyl)methoxycarbonylamino]methyl]cyclohexane-1-carboxylate Openeye Name: calcium 4-[[(3-chlorophenyl)methoxycarbonylamino]methyl]cyclohexanecarboxylate CAS Name: calcium 4-[[[(3-chlorophenyl)methoxy-oxomethyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: calcium 4-[[(3-chlorophenyl)methoxycarbonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: calcium 4-[[(3-chlorobenzyl)oxycarbonylamino]methyl]cyclohexanecarboxylate Formula: C32H38CaCl2N2O8 MolecularWeight: 689.63672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)OCC2=CC(=CC=C2)Cl)C(=O)[O-].C1CC(CCC1CNC(=O)OCC2=CC(=CC=C2)Cl)C(=O)[O-].[Ca+2]

Isomeric SMILES

C1CC(CCC1CNC(=O)OCC2=CC(=CC=C2)Cl)C(=O)[O-].C1CC(CCC1CNC(=O)OCC2=CC(=CC=C2)Cl)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C16H20ClNO4.Ca/c2*17-14-3-1-2-12(8-14)10-22-16(21)18-9-11-4-6-13(7-5-11)15(19)20;/h2*1-3,8,11,13H,4-7,9-10H2,(H,18,21)(H,19,20);/q;;+2/p-2