[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl] 2-azanyl-4-fluoranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl] 2-azanyl-4-fluoranyl-benzoate Openeye Name: [2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl] 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic acid [2-oxo-2-[4-(2-phenoxyethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl] 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid [2-keto-2-[4-(2-phenoxyethyl)piperazino]ethyl] ester Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)COC(=O)C3=C(C=C(C=C3)F)N

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)COC(=O)C3=C(C=C(C=C3)F)N

InChI

InChI=1S/C21H24FN3O4/c22-16-6-7-18(19(23)14-16)21(27)29-15-20(26)25-10-8-24(9-11-25)12-13-28-17-4-2-1-3-5-17/h1-7,14H,8-13,15,23H2