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

Systemtic Name: 6-butyl-7-chloranyl-2,3-dimethyl-5-(phenylcarbonyl)-2,3-dihydropyrrolizine-1,1-dicarboxylic acid Openeye Name: 5-benzoyl-6-butyl-7-chloro-2,3-dimethyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid CAS Name: 5-benzoyl-6-butyl-7-chloro-2,3-dimethyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid IUPAC Name: 5-benzoyl-6-butyl-7-chloro-2,3-dimethyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid Traditional Name: 5-benzoyl-6-butyl-7-chloro-2,3-dimethyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C(C(C(C2=C1Cl)(C(=O)O)C(=O)O)C)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(N2C(C(C(C2=C1Cl)(C(=O)O)C(=O)O)C)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24ClNO5/c1-4-5-11-15-16(23)19-22(20(26)27,21(28)29)12(2)13(3)24(19)17(15)18(25)14-9-7-6-8-10-14/h6-10,12-13H,4-5,11H2,1-3H3,(H,26,27)(H,28,29)