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

Systemtic Name: ethyl 1-(4-heptoxyphenyl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(4-heptoxybenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-heptoxyphenyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-heptoxybenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-heptoxybenzoyl)isonipecotic acid ethyl ester Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C22H33NO4/c1-3-5-6-7-8-17-27-20-11-9-18(10-12-20)21(24)23-15-13-19(14-16-23)22(25)26-4-2/h9-12,19H,3-8,13-17H2,1-2H3