(2-chloranyl-6-fluoranyl-phenyl)methyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate CAS Name: 4-(3,5-dimethoxyphenyl)-1-piperazinecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate Traditional Name: 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H22ClFN2O4 MolecularWeight: 408.851083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2CCN(CC2)C(=O)OCC3=C(C=CC=C3Cl)F)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2CCN(CC2)C(=O)OCC3=C(C=CC=C3Cl)F)OC

InChI

InChI=1S/C20H22ClFN2O4/c1-26-15-10-14(11-16(12-15)27-2)23-6-8-24(9-7-23)20(25)28-13-17-18(21)4-3-5-19(17)22/h3-5,10-12H,6-9,13H2,1-2H3