ethyl 1-(4-hexoxyphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(4-hexoxyphenyl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(4-hexoxybenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-hexoxyphenyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-hexoxybenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-hexoxybenzoyl)isonipecotic acid ethyl ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO4/c1-3-5-6-7-16-26-19-10-8-17(9-11-19)20(23)22-14-12-18(13-15-22)21(24)25-4-2/h8-11,18H,3-7,12-16H2,1-2H3