(E)-4-oxidanylidene-4-[(phenylmethyl)-(pyridin-3-ylmethyl)amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[(phenylmethyl)-(pyridin-3-ylmethyl)amino]but-2-enoic acid Openeye Name: (E)-4-[benzyl(3-pyridylmethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-[(phenylmethyl)-(3-pyridinylmethyl)amino]-2-butenoic acid IUPAC Name: (E)-4-[benzyl(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[benzyl(3-pyridylmethyl)amino]-4-keto-but-2-enoic acid Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C17H16N2O3/c20-16(8-9-17(21)22)19(12-14-5-2-1-3-6-14)13-15-7-4-10-18-11-15/h1-11H,12-13H2,(H,21,22)/b9-8+