(E)-3-[2-methoxycarbonyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-methoxycarbonyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(tert-butoxycarbonylamino)-2-methoxycarbonyl-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-methoxycarbonyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-methoxycarbonyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(tert-butoxycarbonylamino)-2-carbomethoxy-phenyl]acrylic acid Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO6/c1-16(2,3)23-15(21)17-11-7-5-10(6-8-13(18)19)12(9-11)14(20)22-4/h5-9H,1-4H3,(H,17,21)(H,18,19)/b8-6+