1-[2-[(4-chlorophenyl)-(4-iodanylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[(4-chlorophenyl)-(4-iodanylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[(4-chlorophenyl)-(4-iodanylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(4-chlorophenyl)-(4-iodanylphenyl)methoxy]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[(4-chlorophenyl)-(4-iodanylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(4-chlorophenyl)-(4-iodanylphenyl)methoxy]ethyl]nipecotic acid Formula: C21H23ClINO3 MolecularWeight: 497.769844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCOC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)I)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCOC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)[125I])C(=O)O

InChI

InChI=1S/C21H23ClINO3/c22-18-7-3-15(4-8-18)20(16-5-9-19(23)10-6-16)27-13-12-24-11-1-2-17(14-24)21(25)26/h3-10,17,20H,1-2,11-14H2,(H,25,26)/i23-2