[(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [(1R)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [(1R)-2-(4-fluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H23FN2O4 MolecularWeight: 386.416723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OC(C)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)F)OC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C

InChI

InChI=1S/C21H23FN2O4/c1-13(2)24-21(27)23-12-15-4-6-17(7-5-15)20(26)28-14(3)19(25)16-8-10-18(22)11-9-16/h4-11,13-14H,12H2,1-3H3,(H2,23,24,27)/t14-/m1/s1