[(2S)-1-[[(1S)-1-methoxy-2-methyl-propyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl] 4-bromanylbenzoate

Systemtic Name: [(2S)-1-[[(1S)-1-methoxy-2-methyl-propyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl] 4-bromanylbenzoate Openeye Name: [(1S)-1-benzyl-2-[[(1S)-1-methoxy-2-methyl-propyl]amino]-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2S)-1-[[(1S)-1-methoxy-2-methylpropyl]amino]-1-oxo-3-phenylpropan-2-yl] ester IUPAC Name: [(2S)-1-[[(1S)-1-methoxy-2-methylpropyl]amino]-1-oxo-3-phenylpropan-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1S)-1-benzyl-2-keto-2-[[(1S)-1-methoxy-2-methyl-propyl]amino]ethyl] ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)C(CC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)Br)OC

Isomeric SMILES

CC(C)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)Br)OC

InChI

InChI=1S/C21H24BrNO4/c1-14(2)20(26-3)23-19(24)18(13-15-7-5-4-6-8-15)27-21(25)16-9-11-17(22)12-10-16/h4-12,14,18,20H,13H2,1-3H3,(H,23,24)/t18-,20-/m0/s1