4-[(2S)-3-oxidanylidene-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]benzoic acid

Systemtic Name: 4-[(2S)-3-oxidanylidene-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]benzoic acid Openeye Name: 4-[(2S)-3-benzyloxy-2-(benzyloxycarbonylamino)-3-oxo-propyl]benzoic acid CAS Name: 4-[(2S)-3-oxo-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]benzoic acid IUPAC Name: 4-[(2S)-3-oxo-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]benzoic acid Traditional Name: 4-[(2S)-3-benzoxy-2-(benzyloxycarbonylamino)-3-keto-propyl]benzoic acid Formula: C25H23NO6 MolecularWeight: 433.45322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CC=C(C=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CC2=CC=C(C=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H23NO6/c27-23(28)21-13-11-18(12-14-21)15-22(24(29)31-16-19-7-3-1-4-8-19)26-25(30)32-17-20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,26,30)(H,27,28)/t22-/m0/s1