methyl (2S)-5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate

Systemtic Name: methyl (2S)-5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-5-(4-fluorophenyl)pent-4-ynoate CAS Name: (2S)-5-(4-fluorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pentynoic acid methyl ester IUPAC Name: methyl (2S)-5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-(4-fluorophenyl)pent-4-ynoic acid methyl ester Formula: C17H20FNO4 MolecularWeight: 321.343403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC#CC1=CC=C(C=C1)F)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC#CC1=CC=C(C=C1)F)C(=O)OC

InChI

InChI=1S/C17H20FNO4/c1-17(2,3)23-16(21)19-14(15(20)22-4)7-5-6-12-8-10-13(18)11-9-12/h8-11,14H,7H2,1-4H3,(H,19,21)/t14-/m0/s1