[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-oxidanyl-benzoate

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-oxidanyl-benzoate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 3-bromo-4-hydroxy-5-methoxy-benzoate CAS Name: 3-bromo-4-hydroxy-5-methoxybenzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-bromo-4-hydroxy-5-methoxybenzoate Traditional Name: 3-bromo-4-hydroxy-5-methoxy-benzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H17BrFNO5 MolecularWeight: 426.233683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F)Br)O

InChI

InChI=1S/C18H17BrFNO5/c1-25-15-9-12(8-14(19)17(15)23)18(24)26-10-16(22)21-7-6-11-2-4-13(20)5-3-11/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,22)