[3-(hydroxymethyl)phenyl]methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-ynoate

Systemtic Name: [3-(hydroxymethyl)phenyl]methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-ynoate Openeye Name: [3-(hydroxymethyl)phenyl]methyl (2S)-2-(tert-butoxycarbonylamino)hex-4-ynoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-hexynoic acid [3-(hydroxymethyl)phenyl]methyl ester IUPAC Name: [3-(hydroxymethyl)phenyl]methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-ynoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)hex-4-ynoic acid (3-methylolbenzyl) ester Formula: C19H25NO5 MolecularWeight: 347.4055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(C(=O)OCC1=CC=CC(=C1)CO)NC(=O)OC(C)(C)C

Isomeric SMILES

CC#CC[C@@H](C(=O)OCC1=CC=CC(=C1)CO)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H25NO5/c1-5-6-10-16(20-18(23)25-19(2,3)4)17(22)24-13-15-9-7-8-14(11-15)12-21/h7-9,11,16,21H,10,12-13H2,1-4H3,(H,20,23)/t16-/m0/s1