3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexa-1,4-dien-1-yl]propanoic acid

Systemtic Name: 3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexa-1,4-dien-1-yl]propanoic acid Openeye Name: 3-[2-[(tert-butoxycarbonylamino)methyl]cyclohexa-1,4-dien-1-yl]propanoic acid CAS Name: 3-[2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-cyclohexa-1,4-dienyl]propanoic acid IUPAC Name: 3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexa-1,4-dien-1-yl]propanoic acid Traditional Name: 3-[2-[(tert-butoxycarbonylamino)methyl]cyclohexa-1,4-dien-1-yl]propionic acid Formula: C15H23NO4 MolecularWeight: 281.34742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(CC=CC1)CCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(CC=CC1)CCC(=O)O

InChI

InChI=1S/C15H23NO4/c1-15(2,3)20-14(19)16-10-12-7-5-4-6-11(12)8-9-13(17)18/h4-5H,6-10H2,1-3H3,(H,16,19)(H,17,18)