1-[3-[4-chloranyl-3-[(1-oxidanylcycloheptyl)methylcarbamoyl]phenyl]pyridin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-[4-chloranyl-3-[(1-oxidanylcycloheptyl)methylcarbamoyl]phenyl]pyridin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[3-[4-chloro-3-[(1-hydroxycycloheptyl)methylcarbamoyl]phenyl]-2-pyridyl]piperidine-4-carboxylic acid CAS Name: 1-[3-[4-chloro-3-[[(1-hydroxycycloheptyl)methylamino]-oxomethyl]phenyl]-2-pyridinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[4-chloro-3-[(1-hydroxycycloheptyl)methylcarbamoyl]phenyl]pyridin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[3-[4-chloro-3-[(1-hydroxycycloheptyl)methylcarbamoyl]phenyl]-2-pyridyl]isonipecotic acid Formula: C26H32ClN3O4 MolecularWeight: 486.00298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CNC(=O)C2=C(C=CC(=C2)C3=C(N=CC=C3)N4CCC(CC4)C(=O)O)Cl)O

Isomeric SMILES

C1CCCC(CC1)(CNC(=O)C2=C(C=CC(=C2)C3=C(N=CC=C3)N4CCC(CC4)C(=O)O)Cl)O

InChI

InChI=1S/C26H32ClN3O4/c27-22-8-7-19(16-21(22)24(31)29-17-26(34)11-3-1-2-4-12-26)20-6-5-13-28-23(20)30-14-9-18(10-15-30)25(32)33/h5-8,13,16,18,34H,1-4,9-12,14-15,17H2,(H,29,31)(H,32,33)