methyl 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]benzoate

Systemtic Name: methyl 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]benzoate Openeye Name: methyl 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]benzoate CAS Name: 4-[[2-[4-(4-fluorophenyl)-1-piperazinyl]ethylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]benzoate Traditional Name: 4-[2-[4-(4-fluorophenyl)piperazino]ethylcarbamoyl]benzoic acid methyl ester Formula: C21H24FN3O3 MolecularWeight: 385.431963

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCN2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCN2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O3/c1-28-21(27)17-4-2-16(3-5-17)20(26)23-10-11-24-12-14-25(15-13-24)19-8-6-18(22)7-9-19/h2-9H,10-15H2,1H3,(H,23,26)