ethyl 1-(3-cyano-4-methyl-3-phenyl-pentyl)-4-[2-(4-fluoranylphenoxy)ethyl]piperazine-2-carboxylate

Systemtic Name: ethyl 1-(3-cyano-4-methyl-3-phenyl-pentyl)-4-[2-(4-fluoranylphenoxy)ethyl]piperazine-2-carboxylate Openeye Name: ethyl 1-(3-cyano-4-methyl-3-phenyl-pentyl)-4-[2-(4-fluorophenoxy)ethyl]piperazine-2-carboxylate CAS Name: 1-(3-cyano-4-methyl-3-phenylpentyl)-4-[2-(4-fluorophenoxy)ethyl]-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-cyano-4-methyl-3-phenylpentyl)-4-[2-(4-fluorophenoxy)ethyl]piperazine-2-carboxylate Traditional Name: 1-(3-cyano-4-methyl-3-phenyl-pentyl)-4-[2-(4-fluorophenoxy)ethyl]piperazine-2-carboxylic acid ethyl ester Formula: C28H36FN3O3 MolecularWeight: 481.602143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1CCC(C#N)(C2=CC=CC=C2)C(C)C)CCOC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1CN(CCN1CCC(C#N)(C2=CC=CC=C2)C(C)C)CCOC3=CC=C(C=C3)F

InChI

InChI=1S/C28H36FN3O3/c1-4-34-27(33)26-20-31(18-19-35-25-12-10-24(29)11-13-25)16-17-32(26)15-14-28(21-30,22(2)3)23-8-6-5-7-9-23/h5-13,22,26H,4,14-20H2,1-3H3