ethyl 1-[2-[(4-chlorophenyl)-(4-iodophenyl)methoxy]ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[(4-chlorophenyl)-(4-iodophenyl)methoxy]ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(4-chlorophenyl)-(4-iodophenyl)methoxy]ethyl]piperidine-3-carboxylate CAS Name: 1-[2-[(4-chlorophenyl)-(4-iodophenyl)methoxy]ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-chlorophenyl)-(4-iodophenyl)methoxy]ethyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(4-chlorophenyl)-(4-iodophenyl)methoxy]ethyl]nipecotic acid ethyl ester Formula: C23H27ClINO3 MolecularWeight: 527.82285

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CCOC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)I

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CCOC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)I

InChI

InChI=1S/C23H27ClINO3/c1-2-28-23(27)19-4-3-13-26(16-19)14-15-29-22(17-5-9-20(24)10-6-17)18-7-11-21(25)12-8-18/h5-12,19,22H,2-4,13-16H2,1H3