(E)-5-oxidanylidene-5-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pent-2-enoic acid

Systemtic Name: (E)-5-oxidanylidene-5-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pent-2-enoic acid Openeye Name: (E)-5-oxo-5-[[3-(2-pyridylmethoxy)phenyl]methylamino]pent-2-enoic acid CAS Name: (E)-5-oxo-5-[[3-(2-pyridinylmethoxy)phenyl]methylamino]-2-pentenoic acid IUPAC Name: (E)-5-oxo-5-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pent-2-enoic acid Traditional Name: (E)-5-keto-5-[[3-(2-pyridylmethoxy)benzyl]amino]pent-2-enoic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)COC2=CC=CC(=C2)CNC(=O)CC=CC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)COC2=CC=CC(=C2)CNC(=O)C/C=C/C(=O)O

InChI

InChI=1S/C18H18N2O4/c21-17(8-4-9-18(22)23)20-12-14-5-3-7-16(11-14)24-13-15-6-1-2-10-19-15/h1-7,9-11H,8,12-13H2,(H,20,21)(H,22,23)/b9-4+