4-[(1-chloranyl-7-cyano-naphthalen-2-yl)oxymethyl]-1-pyridin-4-yl-piperidine-4-carboxylic acid

Systemtic Name: 4-[(1-chloranyl-7-cyano-naphthalen-2-yl)oxymethyl]-1-pyridin-4-yl-piperidine-4-carboxylic acid Openeye Name: 4-[(1-chloro-7-cyano-2-naphthyl)oxymethyl]-1-(4-pyridyl)piperidine-4-carboxylic acid CAS Name: 4-[(1-chloro-7-cyano-2-naphthalenyl)oxymethyl]-1-pyridin-4-yl-4-piperidinecarboxylic acid IUPAC Name: 4-[(1-chloro-7-cyanonaphthalen-2-yl)oxymethyl]-1-pyridin-4-ylpiperidine-4-carboxylic acid Traditional Name: 4-[(1-chloro-7-cyano-2-naphthoxy)methyl]-1-(4-pyridyl)isonipecotic acid Formula: C23H20ClN3O3 MolecularWeight: 421.8762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(COC2=C(C3=C(C=CC(=C3)C#N)C=C2)Cl)C(=O)O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1(COC2=C(C3=C(C=CC(=C3)C#N)C=C2)Cl)C(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C23H20ClN3O3/c24-21-19-13-16(14-25)1-2-17(19)3-4-20(21)30-15-23(22(28)29)7-11-27(12-8-23)18-5-9-26-10-6-18/h1-6,9-10,13H,7-8,11-12,15H2,(H,28,29)