ethyl 5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethyl]-1H-1,2,4-triazole-3-carboxylate

Systemtic Name: ethyl 5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethyl]-1H-1,2,4-triazole-3-carboxylate Openeye Name: ethyl 5-[(1S)-1-(tert-butoxycarbonylamino)-2-phenyl-ethyl]-1H-1,2,4-triazole-3-carboxylate CAS Name: 5-[(1S)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-phenylethyl]-1H-1,2,4-triazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-1H-1,2,4-triazole-3-carboxylate Traditional Name: 5-[(1S)-1-(tert-butoxycarbonylamino)-2-phenyl-ethyl]-1H-1,2,4-triazole-3-carboxylic acid ethyl ester Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(=N1)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=NNC(=N1)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H24N4O4/c1-5-25-16(23)15-20-14(21-22-15)13(11-12-9-7-6-8-10-12)19-17(24)26-18(2,3)4/h6-10,13H,5,11H2,1-4H3,(H,19,24)(H,20,21,22)/t13-/m0/s1