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

Systemtic Name: tert-butyl 4-[(3,4-dichlorophenyl)carbamoylamino]-5-oxidanylidene-1-pentyl-pyrrolidine-3-carboxylate Openeye Name: tert-butyl 4-[(3,4-dichlorophenyl)carbamoylamino]-5-oxo-1-pentyl-pyrrolidine-3-carboxylate CAS Name: 4-[[(3,4-dichloroanilino)-oxomethyl]amino]-5-oxo-1-pentyl-3-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3,4-dichlorophenyl)carbamoylamino]-5-oxo-1-pentylpyrrolidine-3-carboxylate Traditional Name: 1-amyl-4-[(3,4-dichlorophenyl)carbamoylamino]-5-keto-pyrrolidine-3-carboxylic acid tert-butyl ester Formula: C21H29Cl2N3O4 MolecularWeight: 458.37866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CC(C(C1=O)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCN1CC(C(C1=O)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29Cl2N3O4/c1-5-6-7-10-26-12-14(19(28)30-21(2,3)4)17(18(26)27)25-20(29)24-13-8-9-15(22)16(23)11-13/h8-9,11,14,17H,5-7,10,12H2,1-4H3,(H2,24,25,29)