2-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]amino]terephthalic acid IUPAC Name: 2-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[[1-[(E)-3-phenylacryloyl]isonipecotoyl]amino]terephthalic acid Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H22N2O6/c26-20(9-6-15-4-2-1-3-5-15)25-12-10-16(11-13-25)21(27)24-19-14-17(22(28)29)7-8-18(19)23(30)31/h1-9,14,16H,10-13H2,(H,24,27)(H,28,29)(H,30,31)/b9-6+