methyl 3-[1-(5-bromanylpentyl)-2-oxidanylidene-quinolin-3-yl]benzoate

Systemtic Name: methyl 3-[1-(5-bromanylpentyl)-2-oxidanylidene-quinolin-3-yl]benzoate Openeye Name: methyl 3-[1-(5-bromopentyl)-2-oxo-3-quinolyl]benzoate CAS Name: 3-[1-(5-bromopentyl)-2-oxo-3-quinolinyl]benzoic acid methyl ester IUPAC Name: methyl 3-[1-(5-bromopentyl)-2-oxoquinolin-3-yl]benzoate Traditional Name: 3-[1-(5-bromopentyl)-2-keto-3-quinolyl]benzoic acid methyl ester Formula: C22H22BrNO3 MolecularWeight: 428.31898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=CC3=CC=CC=C3N(C2=O)CCCCCBr

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=CC3=CC=CC=C3N(C2=O)CCCCCBr

InChI

InChI=1S/C22H22BrNO3/c1-27-22(26)18-10-7-9-16(14-18)19-15-17-8-3-4-11-20(17)24(21(19)25)13-6-2-5-12-23/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3