3-(4-carboxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-propanoate

Systemtic Name: 3-(4-carboxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-propanoate Openeye Name: 3-(tert-butoxycarbonylamino)-3-(4-carboxyphenyl)-2-hydroxy-propanoate CAS Name: 3-(4-carboxyphenyl)-2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoate IUPAC Name: 3-(4-carboxyphenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)-3-(4-carboxyphenyl)-2-hydroxy-propionate Formula: C15H18NO7- MolecularWeight: 324.30592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)C(=O)O)C(C(=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)C(=O)O)C(C(=O)[O-])O

InChI

InChI=1S/C15H19NO7/c1-15(2,3)23-14(22)16-10(11(17)13(20)21)8-4-6-9(7-5-8)12(18)19/h4-7,10-11,17H,1-3H3,(H,16,22)(H,18,19)(H,20,21)/p-1