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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4/c18-14(3-4-15(19)20)17(11-13-2-1-9-21-13)10-12-5-7-16-8-6-12/h3-8,13H,1-2,9-11H2,(H,19,20)/p-1/b4-3+/t13-/m1/s1