[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-[(4-fluorophenyl)methoxy]benzoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-[(4-fluorophenyl)methoxy]benzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-[(4-fluorophenyl)methoxy]benzoate CAS Name: 3-[(4-fluorophenyl)methoxy]benzoic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-[(4-fluorophenyl)methoxy]benzoate Traditional Name: 3-(4-fluorobenzyl)oxybenzoic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C27H27FN2O4 MolecularWeight: 462.512683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)OCC4=CC=C(C=C4)F

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C27H27FN2O4/c1-20(26(31)30-16-14-29(15-17-30)24-7-3-2-4-8-24)34-27(32)22-6-5-9-25(18-22)33-19-21-10-12-23(28)13-11-21/h2-13,18,20H,14-17,19H2,1H3