quinolin-8-ylmethyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: quinolin-8-ylmethyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: 8-quinolylmethyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid 8-quinolylmethyl ester Formula: C21H18BrNO4 MolecularWeight: 428.27592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=CC=CC3=C2N=CC=C3

InChI

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