methyl 2-[4-(3-fluorophenyl)carbonyl-3-[(1-oxidanylcyclohexyl)methyl]-2-oxidanylidene-piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-(3-fluorophenyl)carbonyl-3-[(1-oxidanylcyclohexyl)methyl]-2-oxidanylidene-piperazin-1-yl]ethanoate Openeye Name: methyl 2-[4-(3-fluorobenzoyl)-3-[(1-hydroxycyclohexyl)methyl]-2-oxo-piperazin-1-yl]acetate CAS Name: 2-[4-[(3-fluorophenyl)-oxomethyl]-3-[(1-hydroxycyclohexyl)methyl]-2-oxo-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3-fluorobenzoyl)-3-[(1-hydroxycyclohexyl)methyl]-2-oxopiperazin-1-yl]acetate Traditional Name: 2-[4-(3-fluorobenzoyl)-3-[(1-hydroxycyclohexyl)methyl]-2-keto-piperazino]acetic acid methyl ester Formula: C21H27FN2O5 MolecularWeight: 406.447883

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCN(C(C1=O)CC2(CCCCC2)O)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)CN1CCN(C(C1=O)CC2(CCCCC2)O)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H27FN2O5/c1-29-18(25)14-23-10-11-24(19(26)15-6-5-7-16(22)12-15)17(20(23)27)13-21(28)8-3-2-4-9-21/h5-7,12,17,28H,2-4,8-11,13-14H2,1H3