2,6-dimethylheptan-4-yl 1-(4-chlorophenyl)carbonyl-5-oxidanylidene-pyrrolidine-2-carboxylate

Systemtic Name: 2,6-dimethylheptan-4-yl 1-(4-chlorophenyl)carbonyl-5-oxidanylidene-pyrrolidine-2-carboxylate Openeye Name: (1-isobutyl-3-methyl-butyl) 1-(4-chlorobenzoyl)-5-oxo-pyrrolidine-2-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-5-oxo-2-pyrrolidinecarboxylic acid 2,6-dimethylheptan-4-yl ester IUPAC Name: 2,6-dimethylheptan-4-yl 1-(4-chlorobenzoyl)-5-oxopyrrolidine-2-carboxylate Traditional Name: 1-(4-chlorobenzoyl)-5-keto-pyrrolidine-2-carboxylic acid (1-isobutyl-3-methyl-butyl) ester Formula: C21H28ClNO4 MolecularWeight: 393.90432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C)C)OC(=O)C1CCC(=O)N1C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CC(CC(C)C)OC(=O)C1CCC(=O)N1C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H28ClNO4/c1-13(2)11-17(12-14(3)4)27-21(26)18-9-10-19(24)23(18)20(25)15-5-7-16(22)8-6-15/h5-8,13-14,17-18H,9-12H2,1-4H3