[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [2-keto-2-(5-quinolylamino)ethyl] ester Formula: C20H17BrN2O5 MolecularWeight: 445.26338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)OCC(=O)NC2=CC=CC3=C2C=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)OCC(=O)NC2=CC=CC3=C2C=CC=N3

InChI

InChI=1S/C20H17BrN2O5/c1-26-16-9-12(10-17(27-2)19(16)21)20(25)28-11-18(24)23-15-7-3-6-14-13(15)5-4-8-22-14/h3-10H,11H2,1-2H3,(H,23,24)