(E)-5-(3-chlorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid

Systemtic Name: (E)-5-(3-chlorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid Openeye Name: (E)-4-(tert-butoxycarbonylamino)-5-(3-chlorophenyl)pent-2-enoic acid CAS Name: (E)-5-(3-chlorophenyl)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-pentenoic acid IUPAC Name: (E)-5-(3-chlorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid Traditional Name: (E)-4-(tert-butoxycarbonylamino)-5-(3-chlorophenyl)pent-2-enoic acid Formula: C16H20ClNO4 MolecularWeight: 325.7873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)Cl)C=CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)Cl)/C=C/C(=O)O

InChI

InChI=1S/C16H20ClNO4/c1-16(2,3)22-15(21)18-13(7-8-14(19)20)10-11-5-4-6-12(17)9-11/h4-9,13H,10H2,1-3H3,(H,18,21)(H,19,20)/b8-7+