(5-bromanyl-2-methoxy-phenyl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid (5-bromo-2-methoxy-benzyl) ester Formula: C23H24BrNO4 MolecularWeight: 458.34496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)COC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)COC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H24BrNO4/c1-28-21-9-8-20(24)15-19(21)16-29-23(27)18-11-13-25(14-12-18)22(26)10-7-17-5-3-2-4-6-17/h2-10,15,18H,11-14,16H2,1H3/b10-7+