[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)carbonylamino]ethanoate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)carbonylamino]ethanoate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 2-[(3-bromobenzoyl)amino]acetate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]acetic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate Traditional Name: 2-[(3-bromobenzoyl)amino]acetic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O4/c1-22(2,3)25(14-16-8-5-4-6-9-16)19(26)15-29-20(27)13-24-21(28)17-10-7-11-18(23)12-17/h4-12H,13-15H2,1-3H3,(H,24,28)