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

Systemtic Name: methyl 1-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]isonipecotic acid methyl ester Formula: C17H20BrNO4 MolecularWeight: 382.249

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C17H20BrNO4/c1-22-15-5-4-14(18)11-13(15)3-6-16(20)19-9-7-12(8-10-19)17(21)23-2/h3-6,11-12H,7-10H2,1-2H3/b6-3+