[(3S)-2-oxidanylidene-4-phenyl-3-(phenylmethoxycarbonylamino)butyl] 2,6-bis(chloranyl)benzoate

Systemtic Name: [(3S)-2-oxidanylidene-4-phenyl-3-(phenylmethoxycarbonylamino)butyl] 2,6-bis(chloranyl)benzoate Openeye Name: [(3S)-3-(benzyloxycarbonylamino)-2-oxo-4-phenyl-butyl] 2,6-dichlorobenzoate CAS Name: 2,6-dichlorobenzoic acid [(3S)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butyl] ester IUPAC Name: [(3S)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butyl] 2,6-dichlorobenzoate Traditional Name: 2,6-dichlorobenzoic acid [(3S)-3-(benzyloxycarbonylamino)-2-keto-4-phenyl-butyl] ester Formula: C25H21Cl2NO5 MolecularWeight: 486.34394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)COC(=O)C2=C(C=CC=C2Cl)Cl)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)COC(=O)C2=C(C=CC=C2Cl)Cl)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H21Cl2NO5/c26-19-12-7-13-20(27)23(19)24(30)32-16-22(29)21(14-17-8-3-1-4-9-17)28-25(31)33-15-18-10-5-2-6-11-18/h1-13,21H,14-16H2,(H,28,31)/t21-/m0/s1