diethyl 2-[(5-bromanyl-1H-indol-3-yl)methyl]-2-[(Z)-4-oxidanylbut-2-enyl]propanedioate

Systemtic Name: diethyl 2-[(5-bromanyl-1H-indol-3-yl)methyl]-2-[(Z)-4-oxidanylbut-2-enyl]propanedioate Openeye Name: diethyl 2-[(5-bromo-1H-indol-3-yl)methyl]-2-[(Z)-4-hydroxybut-2-enyl]propanedioate CAS Name: 2-[(5-bromo-1H-indol-3-yl)methyl]-2-[(Z)-4-hydroxybut-2-enyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(5-bromo-1H-indol-3-yl)methyl]-2-[(Z)-4-hydroxybut-2-enyl]propanedioate Traditional Name: 2-[(5-bromo-1H-indol-3-yl)methyl]-2-[(Z)-4-hydroxybut-2-enyl]malonic acid diethyl ester Formula: C20H24BrNO5 MolecularWeight: 438.31226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CCO)(CC1=CNC2=C1C=C(C=C2)Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C/C=C\CO)(CC1=CNC2=C1C=C(C=C2)Br)C(=O)OCC

InChI

InChI=1S/C20H24BrNO5/c1-3-26-18(24)20(9-5-6-10-23,19(25)27-4-2)12-14-13-22-17-8-7-15(21)11-16(14)17/h5-8,11,13,22-23H,3-4,9-10,12H2,1-2H3/b6-5-