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

Systemtic Name: [2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 3-methylfuran-2-carboxylate Openeye Name: [2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 3-methylfuran-2-carboxylate CAS Name: 3-methyl-2-furancarboxylic 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-methylfuran-2-carboxylate Traditional Name: 3-methylfuran-2-carboxylic acid [2-[4-(2-chloro-6-fluoro-benzyl)piperazino]-2-keto-ethyl] ester Formula: C19H20ClFN2O4 MolecularWeight: 394.824503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClFN2O4/c1-13-5-10-26-18(13)19(25)27-12-17(24)23-8-6-22(7-9-23)11-14-15(20)3-2-4-16(14)21/h2-5,10H,6-9,11-12H2,1H3