(E)-3-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[4-(tert-butoxycarbonylamino)-1-methyl-pyrrol-2-yl]prop-2-enoic acid CAS Name: (E)-3-[1-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[4-(tert-butoxycarbonylamino)-1-methyl-pyrrol-2-yl]acrylic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)14-9-7-10(15(4)8-9)5-6-11(16)17/h5-8H,1-4H3,(H,14,18)(H,16,17)/b6-5+