2-[4-cyano-4-(3-cyclopentyloxy-4-ethoxy-phenyl)piperidin-1-yl]propanoic acid

Systemtic Name: 2-[4-cyano-4-(3-cyclopentyloxy-4-ethoxy-phenyl)piperidin-1-yl]propanoic acid Openeye Name: 2-[4-cyano-4-[3-(cyclopentoxy)-4-ethoxy-phenyl]-1-piperidyl]propanoic acid CAS Name: 2-[4-cyano-4-(3-cyclopentyloxy-4-ethoxyphenyl)-1-piperidinyl]propanoic acid IUPAC Name: 2-[4-cyano-4-(3-cyclopentyloxy-4-ethoxyphenyl)piperidin-1-yl]propanoic acid Traditional Name: 2-[4-cyano-4-[3-(cyclopentoxy)-4-ethoxy-phenyl]piperidino]propionic acid Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2(CCN(CC2)C(C)C(=O)O)C#N)OC3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2(CCN(CC2)C(C)C(=O)O)C#N)OC3CCCC3

InChI

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