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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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