methyl 2-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazine-1-carbonyl]amino]benzoate CAS Name: 2-[[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-(2-chloro-6-fluoro-benzyl)piperazine-1-carbonyl]amino]benzoic acid methyl ester Formula: C20H21ClFN3O3 MolecularWeight: 405.850443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H21ClFN3O3/c1-28-19(26)14-5-2-3-8-18(14)23-20(27)25-11-9-24(10-12-25)13-15-16(21)6-4-7-17(15)22/h2-8H,9-13H2,1H3,(H,23,27)