2-[4-cyano-4-[3-cyclopentyloxy-4-(fluoranylmethoxy)phenyl]piperidin-1-yl]ethanoic acid hydrate

Systemtic Name: 2-[4-cyano-4-[3-cyclopentyloxy-4-(fluoranylmethoxy)phenyl]piperidin-1-yl]ethanoic acid hydrate Openeye Name: 2-[4-cyano-4-[3-(cyclopentoxy)-4-(fluoromethoxy)phenyl]-1-piperidyl]acetic acid hydrate CAS Name: 2-[4-cyano-4-[3-cyclopentyloxy-4-(fluoromethoxy)phenyl]-1-piperidinyl]acetic acid hydrate IUPAC Name: 2-[4-cyano-4-[3-cyclopentyloxy-4-(fluoromethoxy)phenyl]piperidin-1-yl]acetic acid hydrate Traditional Name: 2-[4-cyano-4-[3-(cyclopentoxy)-4-(fluoromethoxy)phenyl]piperidino]acetic acid hydrate Formula: C20H27FN2O5 MolecularWeight: 394.437183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=C(C=CC(=C2)C3(CCN(CC3)CC(=O)O)C#N)OCF.O

Isomeric SMILES

C1CCC(C1)OC2=C(C=CC(=C2)C3(CCN(CC3)CC(=O)O)C#N)OCF.O

InChI

InChI=1S/C20H25FN2O4.H2O/c21-14-26-17-6-5-15(11-18(17)27-16-3-1-2-4-16)20(13-22)7-9-23(10-8-20)12-19(24)25;/h5-6,11,16H,1-4,7-10,12,14H2,(H,24,25);1H2