[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(4-fluorophenyl)amino]benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(4-fluorophenyl)amino]benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(4-fluoroanilino)benzoate CAS Name: 2-(4-fluoroanilino)benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(4-fluoroanilino)benzoate Traditional Name: 2-(4-fluoroanilino)benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H25FN2O3 MolecularWeight: 384.443903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=CC=C2NC3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=CC=C2NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O3/c1-16(21(26)25-14-6-2-3-7-15-25)28-22(27)19-8-4-5-9-20(19)24-18-12-10-17(23)11-13-18/h4-5,8-13,16,24H,2-3,6-7,14-15H2,1H3