ethyl 4-(4-cyano-5-methyl-4-phenyl-hexyl)-1-[2-(4-fluoranylphenoxy)ethyl]piperazine-2-carboxylate

Systemtic Name: ethyl 4-(4-cyano-5-methyl-4-phenyl-hexyl)-1-[2-(4-fluoranylphenoxy)ethyl]piperazine-2-carboxylate Openeye Name: ethyl 4-(4-cyano-5-methyl-4-phenyl-hexyl)-1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carboxylate CAS Name: 4-(4-cyano-5-methyl-4-phenylhexyl)-1-[2-(4-fluorophenoxy)ethyl]-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyano-5-methyl-4-phenylhexyl)-1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carboxylate Traditional Name: 4-(4-cyano-5-methyl-4-phenyl-hexyl)-1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carboxylic acid ethyl ester Formula: C29H38FN3O3 MolecularWeight: 495.628723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1CCOC2=CC=C(C=C2)F)CCCC(C#N)(C3=CC=CC=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1CN(CCN1CCOC2=CC=C(C=C2)F)CCCC(C#N)(C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C29H38FN3O3/c1-4-35-28(34)27-21-32(17-18-33(27)19-20-36-26-13-11-25(30)12-14-26)16-8-15-29(22-31,23(2)3)24-9-6-5-7-10-24/h5-7,9-14,23,27H,4,8,15-21H2,1-3H3