tert-butyl N-[(2S)-7-bromanyl-1-oxidanylidene-1-[(3-phenylphenyl)amino]heptan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-7-bromanyl-1-oxidanylidene-1-[(3-phenylphenyl)amino]heptan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-6-bromo-1-[(3-phenylphenyl)carbamoyl]hexyl]carbamate CAS Name: N-[(2S)-7-bromo-1-oxo-1-(3-phenylanilino)heptan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-7-bromo-1-oxo-1-(3-phenylanilino)heptan-2-yl]carbamate Traditional Name: N-[(1S)-6-bromo-1-[(3-phenylphenyl)carbamoyl]hexyl]carbamic acid tert-butyl ester Formula: C24H31BrN2O3 MolecularWeight: 475.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCCBr)C(=O)NC1=CC=CC(=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCCBr)C(=O)NC1=CC=CC(=C1)C2=CC=CC=C2

InChI

InChI=1S/C24H31BrN2O3/c1-24(2,3)30-23(29)27-21(15-8-5-9-16-25)22(28)26-20-14-10-13-19(17-20)18-11-6-4-7-12-18/h4,6-7,10-14,17,21H,5,8-9,15-16H2,1-3H3,(H,26,28)(H,27,29)/t21-/m0/s1