(E)-4-oxidanylidene-4-[[3-(3-phenylpropanoylamino)phenyl]amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[[3-(3-phenylpropanoylamino)phenyl]amino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[3-(3-phenylpropanoylamino)anilino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[3-[(1-oxo-3-phenylpropyl)amino]anilino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[3-(3-phenylpropanoylamino)anilino]but-2-enoic acid Traditional Name: (E)-4-[3-(hydrocinnamoylamino)anilino]-4-keto-but-2-enoic acid Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)NC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C19H18N2O4/c22-17(10-9-14-5-2-1-3-6-14)20-15-7-4-8-16(13-15)21-18(23)11-12-19(24)25/h1-8,11-13H,9-10H2,(H,20,22)(H,21,23)(H,24,25)/b12-11+