3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-(2-phenylethynyl)pyridin-3-yl]propanoic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-(2-phenylethynyl)pyridin-3-yl]propanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-3-[5-(2-phenylethynyl)-3-pyridyl]propanoic acid CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[5-(2-phenylethynyl)-3-pyridinyl]propanoic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-(2-phenylethynyl)pyridin-3-yl]propanoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-3-[5-(2-phenylethynyl)-3-pyridyl]propionic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)O)C1=CN=CC(=C1)C#CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(=O)O)C1=CN=CC(=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O4/c1-21(2,3)27-20(26)23-18(12-19(24)25)17-11-16(13-22-14-17)10-9-15-7-5-4-6-8-15/h4-8,11,13-14,18H,12H2,1-3H3,(H,23,26)(H,24,25)