2-(3-bromanylphenoxy)ethyl 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: 2-(3-bromophenoxy)ethyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid 2-(3-bromophenoxy)ethyl ester Formula: C21H20BrNO3 MolecularWeight: 414.2924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCCOC3=CC(=CC=C3)Br

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H20BrNO3/c1-3-18-14(2)20(17-9-4-5-10-19(17)23-18)21(24)26-12-11-25-16-8-6-7-15(22)13-16/h4-10,13H,3,11-12H2,1-2H3