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

Systemtic Name: 4-(4-cyanooxan-4-yl)-2-phenoxy-2-propyl-piperazine-1-carboxylic acid Openeye Name: 4-(4-cyanotetrahydropyran-4-yl)-2-phenoxy-2-propyl-piperazine-1-carboxylic acid CAS Name: 4-(4-cyano-4-oxanyl)-2-phenoxy-2-propyl-1-piperazinecarboxylic acid IUPAC Name: 4-(4-cyanooxan-4-yl)-2-phenoxy-2-propylpiperazine-1-carboxylic acid Traditional Name: 4-(4-cyanotetrahydropyran-4-yl)-2-phenoxy-2-propyl-piperazine-1-carboxylic acid Formula: C20H27N3O4 MolecularWeight: 373.44608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CN(CCN1C(=O)O)C2(CCOCC2)C#N)OC3=CC=CC=C3

Isomeric SMILES

CCCC1(CN(CCN1C(=O)O)C2(CCOCC2)C#N)OC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O4/c1-2-8-20(27-17-6-4-3-5-7-17)16-22(11-12-23(20)18(24)25)19(15-21)9-13-26-14-10-19/h3-7H,2,8-14,16H2,1H3,(H,24,25)