methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-butanoate

Systemtic Name: methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-butanoate Openeye Name: methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-butanoate CAS Name: 2-[4-(4-fluorophenyl)-1-piperazinyl]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutanoate Traditional Name: 2-[4-(4-fluorophenyl)piperazino]-3-methyl-butyric acid methyl ester Formula: C16H23FN2O2 MolecularWeight: 294.364423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N1CCN(CC1)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)C(C(=O)OC)N1CCN(CC1)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H23FN2O2/c1-12(2)15(16(20)21-3)19-10-8-18(9-11-19)14-6-4-13(17)5-7-14/h4-7,12,15H,8-11H2,1-3H3