[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic 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-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C21H23FN2O3 MolecularWeight: 370.417323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)F

InChI

InChI=1S/C21H23FN2O3/c1-15-8-9-17(14-19(15)22)21(26)27-16(2)20(25)24-12-10-23(11-13-24)18-6-4-3-5-7-18/h3-9,14,16H,10-13H2,1-2H3