methyl 3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazine-1-carbonyl]benzoate CAS Name: 3-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]benzoate Traditional Name: 3-[4-(2-chloro-6-fluoro-benzyl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C20H20ClFN2O3 MolecularWeight: 390.835803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClFN2O3/c1-27-20(26)15-5-2-4-14(12-15)19(25)24-10-8-23(9-11-24)13-16-17(21)6-3-7-18(16)22/h2-7,12H,8-11,13H2,1H3