3-[[(E)-2-benzamido-3-pyridin-4-yl-prop-2-enoyl]amino]propanoate

Systemtic Name: 3-[[(E)-2-benzamido-3-pyridin-4-yl-prop-2-enoyl]amino]propanoate Openeye Name: 3-[[(E)-2-benzamido-3-(4-pyridyl)prop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-2-benzamido-1-oxo-3-pyridin-4-ylprop-2-enyl]amino]propanoate IUPAC Name: 3-[[(E)-2-benzamido-3-pyridin-4-ylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-2-benzamido-3-(4-pyridyl)acryloyl]amino]propionate Formula: C18H16N3O4- MolecularWeight: 338.33734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CC=NC=C2)C(=O)NCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=NC=C2)/C(=O)NCCC(=O)[O-]

InChI

InChI=1S/C18H17N3O4/c22-16(23)8-11-20-18(25)15(12-13-6-9-19-10-7-13)21-17(24)14-4-2-1-3-5-14/h1-7,9-10,12H,8,11H2,(H,20,25)(H,21,24)(H,22,23)/p-1/b15-12+