[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C27H27NO7 MolecularWeight: 477.50578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C27H27NO7/c1-32-24-14-13-21(16-25(24)33-2)23(29)18-34-26(30)22(15-19-9-5-3-6-10-19)28-27(31)35-17-20-11-7-4-8-12-20/h3-14,16,22H,15,17-18H2,1-2H3,(H,28,31)/t22-/m0/s1