(2-oxidanylideneazepan-3-yl) 2-[(4-fluorophenyl)amino]benzoate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 2-[(4-fluorophenyl)amino]benzoate Openeye Name: (2-oxoazepan-3-yl) 2-(4-fluoroanilino)benzoate CAS Name: 2-(4-fluoroanilino)benzoic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 2-(4-fluoroanilino)benzoate Traditional Name: 2-(4-fluoroanilino)benzoic acid (2-ketoazepan-3-yl) ester Formula: C19H19FN2O3 MolecularWeight: 342.364163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC(=O)C2=CC=CC=C2NC3=CC=C(C=C3)F

Isomeric SMILES

C1CCNC(=O)C(C1)OC(=O)C2=CC=CC=C2NC3=CC=C(C=C3)F

InChI

InChI=1S/C19H19FN2O3/c20-13-8-10-14(11-9-13)22-16-6-2-1-5-15(16)19(24)25-17-7-3-4-12-21-18(17)23/h1-2,5-6,8-11,17,22H,3-4,7,12H2,(H,21,23)