[2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methyl-3-oxidanyl-benzoate

Systemtic Name: [2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methyl-3-oxidanyl-benzoate Openeye Name: [2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic acid [2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid [2-[4-(2-chloro-6-fluoro-benzyl)piperazino]-2-keto-ethyl] ester Formula: C21H22ClFN2O4 MolecularWeight: 420.861783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F)O

InChI

InChI=1S/C21H22ClFN2O4/c1-14-5-6-15(11-19(14)26)21(28)29-13-20(27)25-9-7-24(8-10-25)12-16-17(22)3-2-4-18(16)23/h2-6,11,26H,7-10,12-13H2,1H3