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

Systemtic Name: ethyl 1-(3-bromanyl-4-hexoxy-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(3-bromo-4-hexoxy-benzoyl)piperidine-4-carboxylate CAS Name: 1-[(3-bromo-4-hexoxyphenyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromo-4-hexoxybenzoyl)piperidine-4-carboxylate Traditional Name: 1-(3-bromo-4-hexoxy-benzoyl)isonipecotic acid ethyl ester Formula: C21H30BrNO4 MolecularWeight: 440.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)OCC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)OCC)Br

InChI

InChI=1S/C21H30BrNO4/c1-3-5-6-7-14-27-19-9-8-17(15-18(19)22)20(24)23-12-10-16(11-13-23)21(25)26-4-2/h8-9,15-16H,3-7,10-14H2,1-2H3