[4-[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]phenyl] benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H23NO6/c1-30-24(28)22(26-25(29)31-17-19-8-4-2-5-9-19)16-18-12-14-21(15-13-18)32-23(27)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,26,29)/t22-/m0/s1