[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C20H21BrClNO3 MolecularWeight: 438.74264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CC(=C2)Br)Cl

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CC(=C2)Br)Cl

InChI

InChI=1S/C20H21BrClNO3/c1-20(2,3)23(12-14-7-5-4-6-8-14)18(24)13-26-19(25)16-11-15(21)9-10-17(16)22/h4-11H,12-13H2,1-3H3