ethyl 4-(4-butanoyl-2-fluoranyl-5-methyl-phenyl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-butanoyl-2-fluoranyl-5-methyl-phenyl)piperazine-1-carboxylate Openeye Name: ethyl 4-(4-butanoyl-2-fluoro-5-methyl-phenyl)piperazine-1-carboxylate CAS Name: 4-[2-fluoro-5-methyl-4-(1-oxobutyl)phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butanoyl-2-fluoro-5-methylphenyl)piperazine-1-carboxylate Traditional Name: 4-(4-butyryl-2-fluoro-5-methyl-phenyl)piperazine-1-carboxylic acid ethyl ester Formula: C18H25FN2O3 MolecularWeight: 336.401103

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=C(C=C1C)N2CCN(CC2)C(=O)OCC)F

Isomeric SMILES

CCCC(=O)C1=CC(=C(C=C1C)N2CCN(CC2)C(=O)OCC)F

InChI

InChI=1S/C18H25FN2O3/c1-4-6-17(22)14-12-15(19)16(11-13(14)3)20-7-9-21(10-8-20)18(23)24-5-2/h11-12H,4-10H2,1-3H3