dimethyl 5-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-[(E)-3-phenylacryloyl]isonipecotoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H26N2O6/c1-32-24(30)19-14-20(25(31)33-2)16-21(15-19)26-23(29)18-10-12-27(13-11-18)22(28)9-8-17-6-4-3-5-7-17/h3-9,14-16,18H,10-13H2,1-2H3,(H,26,29)/b9-8+