[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 4-[bis(fluoranyl)methoxy]-3-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 4-[bis(fluoranyl)methoxy]-3-methoxy-benzoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-(difluoromethoxy)-3-methoxy-benzoate CAS Name: 4-(difluoromethoxy)-3-methoxybenzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-(difluoromethoxy)-3-methoxybenzoate Traditional Name: 4-(difluoromethoxy)-3-methoxy-benzoic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C21H22F2N2O5 MolecularWeight: 420.406586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)OC(F)F

InChI

InChI=1S/C21H22F2N2O5/c1-28-18-13-15(7-8-17(18)30-21(22)23)20(27)29-14-19(26)25-11-9-24(10-12-25)16-5-3-2-4-6-16/h2-8,13,21H,9-12,14H2,1H3