[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H18BrNO4 MolecularWeight: 428.27592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3C=C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C21H18BrNO4/c1-26-20-10-7-15(12-17(20)22)19(24)13-27-21(25)11-9-16-8-6-14-4-2-3-5-18(14)23-16/h2-8,10,12H,9,11,13H2,1H3