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

Systemtic Name: 2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-oxidanylidene-ethoxy]-4-methyl-benzoic acid Openeye Name: 2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy]-4-methyl-benzoic acid CAS Name: 2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]-2-oxoethoxy]-4-methylbenzoic acid IUPAC Name: 2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]-4-methylbenzoic acid Traditional Name: 2-[2-[4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]-2-keto-ethoxy]-4-methyl-benzoic acid Formula: C23H27FN2O4 MolecularWeight: 414.469883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27FN2O4/c1-15-4-9-20(23(28)29)21(10-15)30-14-22(27)26-12-16(2)25(11-17(26)3)13-18-5-7-19(24)8-6-18/h4-10,16-17H,11-14H2,1-3H3,(H,28,29)