[2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C20H20BrNO5 MolecularWeight: 434.2805

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)OC)Br

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)OC)Br

InChI

InChI=1S/C20H20BrNO5/c1-12(2)19(24)22-14-6-4-13(5-7-14)18(23)11-27-20(25)16-10-15(26-3)8-9-17(16)21/h4-10,12H,11H2,1-3H3,(H,22,24)