tert-butyl 4-[(3,4-dichlorophenyl)carbonylamino]-5-oxidanylidene-1-pentyl-pyrrolidine-3-carboxylate

Systemtic Name: tert-butyl 4-[(3,4-dichlorophenyl)carbonylamino]-5-oxidanylidene-1-pentyl-pyrrolidine-3-carboxylate Openeye Name: tert-butyl 4-[(3,4-dichlorobenzoyl)amino]-5-oxo-1-pentyl-pyrrolidine-3-carboxylate CAS Name: 4-[[(3,4-dichlorophenyl)-oxomethyl]amino]-5-oxo-1-pentyl-3-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3,4-dichlorobenzoyl)amino]-5-oxo-1-pentylpyrrolidine-3-carboxylate Traditional Name: 1-amyl-4-[(3,4-dichlorobenzoyl)amino]-5-keto-pyrrolidine-3-carboxylic acid tert-butyl ester Formula: C21H28Cl2N2O4 MolecularWeight: 443.36402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CC(C(C1=O)NC(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCN1CC(C(C1=O)NC(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H28Cl2N2O4/c1-5-6-7-10-25-12-14(20(28)29-21(2,3)4)17(19(25)27)24-18(26)13-8-9-15(22)16(23)11-13/h8-9,11,14,17H,5-7,10,12H2,1-4H3,(H,24,26)