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

Systemtic Name: tert-butyl 4-[(4-chlorophenyl)carbonylamino]-5-oxidanylidene-1-pentyl-pyrrolidine-3-carboxylate Openeye Name: tert-butyl 4-[(4-chlorobenzoyl)amino]-5-oxo-1-pentyl-pyrrolidine-3-carboxylate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]-5-oxo-1-pentyl-3-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-chlorobenzoyl)amino]-5-oxo-1-pentylpyrrolidine-3-carboxylate Traditional Name: 1-amyl-4-[(4-chlorobenzoyl)amino]-5-keto-pyrrolidine-3-carboxylic acid tert-butyl ester Formula: C21H29ClN2O4 MolecularWeight: 408.91896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN2O4/c1-5-6-7-12-24-13-16(20(27)28-21(2,3)4)17(19(24)26)23-18(25)14-8-10-15(22)11-9-14/h8-11,16-17H,5-7,12-13H2,1-4H3,(H,23,25)