methyl 5-[[4-(3-fluorophenyl)carbonylpiperazin-1-yl]methyl]-3-methyl-furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(3-fluorophenyl)carbonylpiperazin-1-yl]methyl]-3-methyl-furan-2-carboxylate Openeye Name: methyl 5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-3-methyl-furan-2-carboxylate CAS Name: 5-[[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]methyl]-3-methyl-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate Traditional Name: 5-[[4-(3-fluorobenzoyl)piperazino]methyl]-3-methyl-furan-2-carboxylic acid methyl ester Formula: C19H21FN2O4 MolecularWeight: 360.379443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)F)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)F)C(=O)OC

InChI

InChI=1S/C19H21FN2O4/c1-13-10-16(26-17(13)19(24)25-2)12-21-6-8-22(9-7-21)18(23)14-4-3-5-15(20)11-14/h3-5,10-11H,6-9,12H2,1-2H3