[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=C(C=CC(=C3)OC)Br

Isomeric SMILES

CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=C(C=CC(=C3)OC)Br

InChI

InChI=1S/C20H20BrNO4/c1-13(26-20(24)16-12-15(25-2)9-10-17(16)21)19(23)22-11-5-7-14-6-3-4-8-18(14)22/h3-4,6,8-10,12-13H,5,7,11H2,1-2H3