[1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl] 3,5-diacetamidobenzoate

Systemtic Name: [1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl] 3,5-diacetamidobenzoate Openeye Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-1-methyl-2-oxo-ethyl] 3,5-diacetamidobenzoate CAS Name: 3,5-diacetamidobenzoic acid [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 3,5-diacetamidobenzoate Traditional Name: 3,5-diacetamidobenzoic acid [2-[(3-fluorobenzyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C22H24FN3O5 MolecularWeight: 429.441463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC(=CC=C1)F)OC(=O)C2=CC(=CC(=C2)NC(=O)C)NC(=O)C

Isomeric SMILES

CC(C(=O)N(C)CC1=CC(=CC=C1)F)OC(=O)C2=CC(=CC(=C2)NC(=O)C)NC(=O)C

InChI

InChI=1S/C22H24FN3O5/c1-13(21(29)26(4)12-16-6-5-7-18(23)8-16)31-22(30)17-9-19(24-14(2)27)11-20(10-17)25-15(3)28/h5-11,13H,12H2,1-4H3,(H,24,27)(H,25,28)