tert-butyl 2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C19H26BrN3O4 MolecularWeight: 440.33144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CCCN2C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CCCN2C(=O)OC(C)(C)C

InChI

InChI=1S/C19H26BrN3O4/c1-12-10-13(20)7-8-14(12)22-16(24)11-21-17(25)15-6-5-9-23(15)18(26)27-19(2,3)4/h7-8,10,15H,5-6,9,11H2,1-4H3,(H,21,25)(H,22,24)