(E)-4-oxidanylidene-4-[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]but-2-enoate

Systemtic Name: (E)-4-oxidanylidene-4-[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]but-2-enoate Openeye Name: (E)-4-oxo-4-[3-pyridylmethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]but-2-enoate CAS Name: (E)-4-oxo-4-[[(2R)-2-oxolanyl]methyl-(3-pyridinylmethyl)amino]-2-butenoate IUPAC Name: (E)-4-oxo-4-[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]but-2-enoate Traditional Name: (E)-4-keto-4-[3-pyridylmethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]but-2-enoate Formula: C15H17N2O4- MolecularWeight: 289.30648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CC2=CN=CC=C2)C(=O)C=CC(=O)[O-]

Isomeric SMILES

C1C[C@@H](OC1)CN(CC2=CN=CC=C2)C(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C15H18N2O4/c18-14(5-6-15(19)20)17(11-13-4-2-8-21-13)10-12-3-1-7-16-9-12/h1,3,5-7,9,13H,2,4,8,10-11H2,(H,19,20)/p-1/b6-5+/t13-/m1/s1