3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]hex-5-ynoic acid

Systemtic Name: 3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]hex-5-ynoic acid Openeye Name: 3-[4-(tert-butoxycarbonylamino)phenyl]hex-5-ynoic acid CAS Name: 3-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-5-hexynoic acid IUPAC Name: 3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]hex-5-ynoic acid Traditional Name: 3-[4-(tert-butoxycarbonylamino)phenyl]hex-5-ynoic acid Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(CC#C)CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(CC#C)CC(=O)O

InChI

InChI=1S/C17H21NO4/c1-5-6-13(11-15(19)20)12-7-9-14(10-8-12)18-16(21)22-17(2,3)4/h1,7-10,13H,6,11H2,2-4H3,(H,18,21)(H,19,20)