[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl] ester Formula: C19H20BrNO5 MolecularWeight: 422.2698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)COC(=O)C2=C(C=CC(=C2)OC)Br

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)COC(=O)C2=C(C=CC(=C2)OC)Br

InChI

InChI=1S/C19H20BrNO5/c1-24-14-5-3-13(4-6-14)9-10-21-18(22)12-26-19(23)16-11-15(25-2)7-8-17(16)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)