methyl 2-(4-chlorophenyl)-2-[4-(3-fluoranyl-4-methyl-phenyl)carbonylpiperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(4-chlorophenyl)-2-[4-(3-fluoranyl-4-methyl-phenyl)carbonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-(4-chlorophenyl)-2-[4-(3-fluoro-4-methyl-benzoyl)piperazin-1-yl]acetate CAS Name: 2-(4-chlorophenyl)-2-[4-[(3-fluoro-4-methylphenyl)-oxomethyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetate Traditional Name: 2-(4-chlorophenyl)-2-[4-(3-fluoro-4-methyl-benzoyl)piperazino]acetic acid methyl ester Formula: C21H22ClFN2O3 MolecularWeight: 404.862383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C(=O)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C(=O)OC)F

InChI

InChI=1S/C21H22ClFN2O3/c1-14-3-4-16(13-18(14)23)20(26)25-11-9-24(10-12-25)19(21(27)28-2)15-5-7-17(22)8-6-15/h3-8,13,19H,9-12H2,1-2H3