2-(3,5-dimethylphenoxy)ethyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C23H26ClNO4 MolecularWeight: 415.90984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C23H26ClNO4/c1-16-13-17(2)15-21(14-16)28-11-12-29-23(27)19-7-9-25(10-8-19)22(26)18-3-5-20(24)6-4-18/h3-6,13-15,19H,7-12H2,1-2H3