ethyl 1-(3-bromanyl-4-propoxy-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(3-bromanyl-4-propoxy-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(3-bromo-4-propoxy-benzoyl)piperidine-4-carboxylate CAS Name: 1-[(3-bromo-4-propoxyphenyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromo-4-propoxybenzoyl)piperidine-4-carboxylate Traditional Name: 1-(3-bromo-4-propoxy-benzoyl)isonipecotic acid ethyl ester Formula: C18H24BrNO4 MolecularWeight: 398.29146

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)OCC)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)OCC)Br

InChI

InChI=1S/C18H24BrNO4/c1-3-11-24-16-6-5-14(12-15(16)19)17(21)20-9-7-13(8-10-20)18(22)23-4-2/h5-6,12-13H,3-4,7-11H2,1-2H3