[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-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=CC(=C(C=C1)Br)C(=O)OCC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

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