1-[3-chloranyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]carbonylpiperidine-2-carboxylic acid

Systemtic Name: 1-[3-chloranyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]carbonylpiperidine-2-carboxylic acid Openeye Name: 1-[3-chloro-5-[2-(4-pyridylamino)ethoxy]benzoyl]piperidine-2-carboxylic acid CAS Name: 1-[[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-oxomethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]benzoyl]piperidine-2-carboxylic acid Traditional Name: 1-[3-chloro-5-[2-(4-pyridylamino)ethoxy]benzoyl]pipecolinic acid Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)C2=CC(=CC(=C2)Cl)OCCNC3=CC=NC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)C2=CC(=CC(=C2)Cl)OCCNC3=CC=NC=C3

InChI

InChI=1S/C20H22ClN3O4/c21-15-11-14(19(25)24-9-2-1-3-18(24)20(26)27)12-17(13-15)28-10-8-23-16-4-6-22-7-5-16/h4-7,11-13,18H,1-3,8-10H2,(H,22,23)(H,26,27)