tert-butyl 2-[(4-acetamido-3-chloranyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(4-acetamido-3-chloranyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[(4-acetamido-3-chloro-phenyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[(4-acetamido-3-chloroanilino)-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-acetamido-3-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(4-acetamido-3-chloro-phenyl)carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H24ClN3O4 MolecularWeight: 381.85386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C18H24ClN3O4/c1-11(23)20-14-8-7-12(10-13(14)19)21-16(24)15-6-5-9-22(15)17(25)26-18(2,3)4/h7-8,10,15H,5-6,9H2,1-4H3,(H,20,23)(H,21,24)