[(2S)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl] benzoate

Systemtic Name: [(2S)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl] benzoate Openeye Name: [(2S)-2-(benzyloxycarbonylamino)-3-tert-butoxy-3-oxo-propyl] benzoate CAS Name: benzoic acid [(2S)-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxycarbonylamino)propyl] ester IUPAC Name: [(2S)-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxycarbonylamino)propyl] benzoate Traditional Name: benzoic acid [(2S)-2-(benzyloxycarbonylamino)-3-tert-butoxy-3-keto-propyl] ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(COC(=O)C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](COC(=O)C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H25NO6/c1-22(2,3)29-20(25)18(15-27-19(24)17-12-8-5-9-13-17)23-21(26)28-14-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3,(H,23,26)/t18-/m0/s1