7-chloranyl-2,3,6-trimethyl-5-(4-methylphenyl)carbonyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid

Systemtic Name: 7-chloranyl-2,3,6-trimethyl-5-(4-methylphenyl)carbonyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid Openeye Name: 7-chloro-2,3,6-trimethyl-5-(4-methylbenzoyl)-2,3-dihydropyrrolizine-1,1-dicarboxylic acid CAS Name: 7-chloro-2,3,6-trimethyl-5-[(4-methylphenyl)-oxomethyl]-2,3-dihydropyrrolizine-1,1-dicarboxylic acid IUPAC Name: 7-chloro-2,3,6-trimethyl-5-(4-methylbenzoyl)-2,3-dihydropyrrolizine-1,1-dicarboxylic acid Traditional Name: 7-chloro-2,3,6-trimethyl-5-p-toluoyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid Formula: C20H20ClNO5 MolecularWeight: 389.8295

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N2C(=C(C(=C2C1(C(=O)O)C(=O)O)Cl)C)C(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CC1C(N2C(=C(C(=C2C1(C(=O)O)C(=O)O)Cl)C)C(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C20H20ClNO5/c1-9-5-7-13(8-6-9)16(23)15-10(2)14(21)17-20(18(24)25,19(26)27)11(3)12(4)22(15)17/h5-8,11-12H,1-4H3,(H,24,25)(H,26,27)