(E)-4-oxidanylidene-4-[[(2R)-oxolan-2-yl]methyl-(pyridin-2-ylmethyl)amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[[(2R)-oxolan-2-yl]methyl-(pyridin-2-ylmethyl)amino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[2-pyridylmethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[[(2R)-2-oxolanyl]methyl-(2-pyridinylmethyl)amino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[[(2R)-oxolan-2-yl]methyl-(pyridin-2-ylmethyl)amino]but-2-enoic acid Traditional Name: (E)-4-keto-4-[2-pyridylmethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]but-2-enoic acid Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CC2=CC=CC=N2)C(=O)C=CC(=O)O

Isomeric SMILES

C1C[C@@H](OC1)CN(CC2=CC=CC=N2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C15H18N2O4/c18-14(6-7-15(19)20)17(11-13-5-3-9-21-13)10-12-4-1-2-8-16-12/h1-2,4,6-8,13H,3,5,9-11H2,(H,19,20)/b7-6+/t13-/m1/s1