2-[1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-2-phenyl-ethyl]propanedioic acid

Systemtic Name: 2-[1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-2-phenyl-ethyl]propanedioic acid Openeye Name: 2-[1-[6-(tert-butoxycarbonylamino)-3-pyridyl]-2-phenyl-ethyl]propanedioic acid CAS Name: 2-[1-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]-2-phenylethyl]propanedioic acid IUPAC Name: 2-[1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-2-phenylethyl]propanedioic acid Traditional Name: 2-[1-[6-(tert-butoxycarbonylamino)-3-pyridyl]-2-phenyl-ethyl]malonic acid Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC=C(C=C1)C(CC2=CC=CC=C2)C(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=C(C=C1)C(CC2=CC=CC=C2)C(C(=O)O)C(=O)O

InChI

InChI=1S/C21H24N2O6/c1-21(2,3)29-20(28)23-16-10-9-14(12-22-16)15(17(18(24)25)19(26)27)11-13-7-5-4-6-8-13/h4-10,12,15,17H,11H2,1-3H3,(H,24,25)(H,26,27)(H,22,23,28)