5-ethanoyl-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 5-ethanoyl-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 5-acetyl-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy]benzoic acid CAS Name: 5-acetyl-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]-2-oxoethoxy]benzoic acid IUPAC Name: 5-acetyl-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]benzoic acid Traditional Name: 5-acetyl-2-[2-[4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]-2-keto-ethoxy]benzoic acid Formula: C24H27FN2O5 MolecularWeight: 442.479983

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)COC2=C(C=C(C=C2)C(=O)C)C(=O)O)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1CN(C(CN1C(=O)COC2=C(C=C(C=C2)C(=O)C)C(=O)O)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C24H27FN2O5/c1-15-12-27(16(2)11-26(15)13-18-4-7-20(25)8-5-18)23(29)14-32-22-9-6-19(17(3)28)10-21(22)24(30)31/h4-10,15-16H,11-14H2,1-3H3,(H,30,31)