[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C17H16FNO4 MolecularWeight: 317.311643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)F

InChI

InChI=1S/C17H16FNO4/c1-22-15-8-7-13(9-14(15)18)17(21)23-11-16(20)19-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,19,20)