[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C17H15BrFNO4 MolecularWeight: 396.207703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrFNO4/c1-23-15-7-4-12(8-14(15)18)17(22)24-10-16(21)20-9-11-2-5-13(19)6-3-11/h2-8H,9-10H2,1H3,(H,20,21)