methyl 4-[2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(4-fluorobenzoyl)piperazino]acetyl]amino]benzoic acid methyl ester Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O4/c1-29-21(28)16-4-8-18(9-5-16)23-19(26)14-24-10-12-25(13-11-24)20(27)15-2-6-17(22)7-3-15/h2-9H,10-14H2,1H3,(H,23,26)