butyl 2-[(2S)-1-(4-fluorophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butyl 2-[(2S)-1-(4-fluorophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[(2S)-1-(4-fluorobenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[(4-fluorophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-1-(4-fluorobenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(4-fluorobenzoyl)-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C17H21FN2O4 MolecularWeight: 336.358043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H21FN2O4/c1-2-3-10-24-15(21)11-14-16(22)19-8-9-20(14)17(23)12-4-6-13(18)7-5-12/h4-7,14H,2-3,8-11H2,1H3,(H,19,22)/t14-/m0/s1