tert-butyl 1-[2-[(4-azanyl-3-chloranyl-phenyl)carbonylamino]-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[2-[(4-azanyl-3-chloranyl-phenyl)carbonylamino]-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[2-[(4-amino-3-chloro-benzoyl)amino]-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[[(4-amino-3-chlorophenyl)-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[(4-amino-3-chloro-benzoyl)amino]-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C22H32ClN3O4 MolecularWeight: 437.96018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CCCC1C(=O)OC(C)(C)C)NC(=O)C2=CC(=C(C=C2)N)Cl

Isomeric SMILES

CC(C)(C)C(C(=O)N1CCCC1C(=O)OC(C)(C)C)NC(=O)C2=CC(=C(C=C2)N)Cl

InChI

InChI=1S/C22H32ClN3O4/c1-21(2,3)17(25-18(27)13-9-10-15(24)14(23)12-13)19(28)26-11-7-8-16(26)20(29)30-22(4,5)6/h9-10,12,16-17H,7-8,11,24H2,1-6H3,(H,25,27)