4-(4-cyanooxan-4-yl)-2-phenoxy-1-propyl-piperidine-4-carboxylic acid

Systemtic Name: 4-(4-cyanooxan-4-yl)-2-phenoxy-1-propyl-piperidine-4-carboxylic acid Openeye Name: 4-(4-cyanotetrahydropyran-4-yl)-2-phenoxy-1-propyl-piperidine-4-carboxylic acid CAS Name: 4-(4-cyano-4-oxanyl)-2-phenoxy-1-propyl-4-piperidinecarboxylic acid IUPAC Name: 4-(4-cyanooxan-4-yl)-2-phenoxy-1-propylpiperidine-4-carboxylic acid Traditional Name: 4-(4-cyanotetrahydropyran-4-yl)-2-phenoxy-1-propyl-isonipecotic acid Formula: C21H28N2O4 MolecularWeight: 372.45802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1OC2=CC=CC=C2)(C(=O)O)C3(CCOCC3)C#N

Isomeric SMILES

CCCN1CCC(CC1OC2=CC=CC=C2)(C(=O)O)C3(CCOCC3)C#N

InChI

InChI=1S/C21H28N2O4/c1-2-11-23-12-8-21(19(24)25,20(16-22)9-13-26-14-10-20)15-18(23)27-17-6-4-3-5-7-17/h3-7,18H,2,8-15H2,1H3,(H,24,25)