methyl (3S)-3-phenyl-3-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]propanoate

Systemtic Name: methyl (3S)-3-phenyl-3-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]propanoate Openeye Name: methyl (3S)-3-phenyl-3-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]propanoate CAS Name: (3S)-3-[[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-phenyl-3-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]propanoate Traditional Name: (3S)-3-phenyl-3-[[1-[(E)-3-phenylacryloyl]isonipecotoyl]amino]propionic acid methyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O4/c1-31-24(29)18-22(20-10-6-3-7-11-20)26-25(30)21-14-16-27(17-15-21)23(28)13-12-19-8-4-2-5-9-19/h2-13,21-22H,14-18H2,1H3,(H,26,30)/b13-12+/t22-/m0/s1