2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]hex-5-ynoic acid

Systemtic Name: 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]hex-5-ynoic acid Openeye Name: 2-[4-[(tert-butoxycarbonylamino)methyl]phenyl]hex-5-ynoic acid CAS Name: 2-[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]-5-hexynoic acid IUPAC Name: 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]hex-5-ynoic acid Traditional Name: 2-[4-[(tert-butoxycarbonylamino)methyl]phenyl]hex-5-ynoic acid Formula: C18H23NO4 MolecularWeight: 317.37952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(CCC#C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(CCC#C)C(=O)O

InChI

InChI=1S/C18H23NO4/c1-5-6-7-15(16(20)21)14-10-8-13(9-11-14)12-19-17(22)23-18(2,3)4/h1,8-11,15H,6-7,12H2,2-4H3,(H,19,22)(H,20,21)