(E)-4-[(3-cyanophenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enedioic acid

Systemtic Name: (E)-4-[(3-cyanophenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enedioic acid Openeye Name: (E)-4-(tert-butoxycarbonylamino)-4-[(3-cyanophenyl)methyl]pent-2-enedioic acid CAS Name: (E)-4-[(3-cyanophenyl)methyl]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-pentenedioic acid IUPAC Name: (E)-4-[(3-cyanophenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enedioic acid Traditional Name: (E)-4-(tert-butoxycarbonylamino)-4-(3-cyanobenzyl)pent-2-enedioic acid Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC(=C1)C#N)(C=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC(=C1)C#N)(/C=C/C(=O)O)C(=O)O

InChI

InChI=1S/C18H20N2O6/c1-17(2,3)26-16(25)20-18(15(23)24,8-7-14(21)22)10-12-5-4-6-13(9-12)11-19/h4-9H,10H2,1-3H3,(H,20,25)(H,21,22)(H,23,24)/b8-7+