[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C21H18BrNO5 MolecularWeight: 444.27532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H18BrNO5/c1-27-20-8-6-13(22)10-15(20)18(24)7-9-21(26)28-12-19(25)16-11-23-17-5-3-2-4-14(16)17/h2-6,8,10-11,23H,7,9,12H2,1H3