4-[(7-cyanonaphthalen-2-yl)oxymethyl]-1-pyridin-4-yl-piperidine-4-carboxylic acid

Systemtic Name: 4-[(7-cyanonaphthalen-2-yl)oxymethyl]-1-pyridin-4-yl-piperidine-4-carboxylic acid Openeye Name: 4-[(7-cyano-2-naphthyl)oxymethyl]-1-(4-pyridyl)piperidine-4-carboxylic acid CAS Name: 4-[(7-cyano-2-naphthalenyl)oxymethyl]-1-pyridin-4-yl-4-piperidinecarboxylic acid IUPAC Name: 4-[(7-cyanonaphthalen-2-yl)oxymethyl]-1-pyridin-4-ylpiperidine-4-carboxylic acid Traditional Name: 4-[(7-cyano-2-naphthoxy)methyl]-1-(4-pyridyl)isonipecotic acid Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(COC2=CC3=C(C=CC(=C3)C#N)C=C2)C(=O)O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1(COC2=CC3=C(C=CC(=C3)C#N)C=C2)C(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C23H21N3O3/c24-15-17-1-2-18-3-4-21(14-19(18)13-17)29-16-23(22(27)28)7-11-26(12-8-23)20-5-9-25-10-6-20/h1-6,9-10,13-14H,7-8,11-12,16H2,(H,27,28)