7-bromanyl-6-butyl-5-(phenylcarbonyl)-2,3-dihydropyrrolizine-1,1-dicarboxylic acid

Systemtic Name: 7-bromanyl-6-butyl-5-(phenylcarbonyl)-2,3-dihydropyrrolizine-1,1-dicarboxylic acid Openeye Name: 5-benzoyl-7-bromo-6-butyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid CAS Name: 5-benzoyl-7-bromo-6-butyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid IUPAC Name: 5-benzoyl-7-bromo-6-butyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid Traditional Name: 5-benzoyl-7-bromo-6-butyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid Formula: C20H20BrNO5 MolecularWeight: 434.2805

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2CCC(C2=C1Br)(C(=O)O)C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(N2CCC(C2=C1Br)(C(=O)O)C(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20BrNO5/c1-2-3-9-13-14(21)17-20(18(24)25,19(26)27)10-11-22(17)15(13)16(23)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,24,25)(H,26,27)