[2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 5-methoxy-2-oxidanyl-benzoate

Systemtic Name: [2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 5-methoxy-2-oxidanyl-benzoate Openeye Name: [2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 2-hydroxy-5-methoxy-benzoate CAS Name: 2-hydroxy-5-methoxybenzoic 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] 2-hydroxy-5-methoxybenzoate Traditional Name: 2-hydroxy-5-methoxy-benzoic acid [2-[4-(2-chloro-6-fluoro-benzyl)piperazino]-2-keto-ethyl] ester Formula: C21H22ClFN2O5 MolecularWeight: 436.861183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C(=O)OCC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=CC(=C(C=C1)O)C(=O)OCC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H22ClFN2O5/c1-29-14-5-6-19(26)15(11-14)21(28)30-13-20(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