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

Systemtic Name: 3-[4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)piperidin-1-yl]propanoic acid Openeye Name: 3-[4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-piperidyl]propanoic acid CAS Name: 3-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-piperidinyl]propanoic acid IUPAC Name: 3-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]propanoic acid Traditional Name: 3-[4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]piperidino]propionic acid Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCN(CC2)CCC(=O)O)C#N)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCN(CC2)CCC(=O)O)C#N)OC3CCCC3

InChI

InChI=1S/C21H28N2O4/c1-26-18-7-6-16(14-19(18)27-17-4-2-3-5-17)21(15-22)9-12-23(13-10-21)11-8-20(24)25/h6-7,14,17H,2-5,8-13H2,1H3,(H,24,25)