2-[4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)piperidin-1-yl]butanoic acid

Systemtic Name: 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)piperidin-1-yl]butanoic acid Openeye Name: 2-[4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-piperidyl]butanoic acid CAS Name: 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-piperidinyl]butanoic acid IUPAC Name: 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]butanoic acid Traditional Name: 2-[4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]piperidino]butyric acid Formula: C22H30N2O4 MolecularWeight: 386.4846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1CCC(CC1)(C#N)C2=CC(=C(C=C2)OC)OC3CCCC3

Isomeric SMILES

CCC(C(=O)O)N1CCC(CC1)(C#N)C2=CC(=C(C=C2)OC)OC3CCCC3

InChI

InChI=1S/C22H30N2O4/c1-3-18(21(25)26)24-12-10-22(15-23,11-13-24)16-8-9-19(27-2)20(14-16)28-17-6-4-5-7-17/h8-9,14,17-18H,3-7,10-13H2,1-2H3,(H,25,26)