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

Systemtic Name: 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-phenyl-methyl]propanedioic acid Openeye Name: 2-[[6-(tert-butoxycarbonylamino)-3-pyridyl]-phenyl-methyl]propanedioic acid CAS Name: 2-[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]-phenylmethyl]propanedioic acid IUPAC Name: 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-phenylmethyl]propanedioic acid Traditional Name: 2-[[6-(tert-butoxycarbonylamino)-3-pyridyl]-phenyl-methyl]malonic acid Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-20(2,3)28-19(27)22-14-10-9-13(11-21-14)15(12-7-5-4-6-8-12)16(17(23)24)18(25)26/h4-11,15-16H,1-3H3,(H,23,24)(H,25,26)(H,21,22,27)