cadmium(2+); 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: cadmium(2+); 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: 2-(tert-butoxycarbonylamino)-3-phenyl-propanoate; cadmium(2+) CAS Name: cadmium(2+); 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: cadmium(2+); 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-phenyl-propionate; cadmium(2+) Formula: C28H36CdN2O8 MolecularWeight: 641.00504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)[O-].CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)[O-].[Cd+2]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)[O-].CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)[O-].[Cd+2]

InChI

InChI=1S/2C14H19NO4.Cd/c2*1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;/h2*4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);/q;;+2/p-2