[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-acetamidobenzoate

Systemtic Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-acetamidobenzoate Openeye Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

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