methyl 4-chloranyl-3-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[[1-[(E)-3-phenylacryloyl]isonipecotoyl]amino]benzoic acid methyl ester Formula: C23H23ClN2O4 MolecularWeight: 426.89272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O4/c1-30-23(29)18-8-9-19(24)20(15-18)25-22(28)17-11-13-26(14-12-17)21(27)10-7-16-5-3-2-4-6-16/h2-10,15,17H,11-14H2,1H3,(H,25,28)/b10-7+