tert-butyl (2S)-3-(3-ethenyl-2-oxidanyl-3-phenyl-2H-1-benzofuran-5-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl (2S)-3-(3-ethenyl-2-oxidanyl-3-phenyl-2H-1-benzofuran-5-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl (2S)-2-(benzyloxycarbonylamino)-3-(2-hydroxy-3-phenyl-3-vinyl-2H-benzofuran-5-yl)propanoate CAS Name: (2S)-3-(3-ethenyl-2-hydroxy-3-phenyl-2H-benzofuran-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-(3-ethenyl-2-hydroxy-3-phenyl-2H-1-benzofuran-5-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(2-hydroxy-3-phenyl-3-vinyl-coumaran-5-yl)propionic acid tert-butyl ester Formula: C31H33NO6 MolecularWeight: 515.59682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC2=C(C=C1)OC(C2(C=C)C3=CC=CC=C3)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC2=C(C=C1)OC(C2(C=C)C3=CC=CC=C3)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H33NO6/c1-5-31(23-14-10-7-11-15-23)24-18-22(16-17-26(24)37-28(31)34)19-25(27(33)38-30(2,3)4)32-29(35)36-20-21-12-8-6-9-13-21/h5-18,25,28,34H,1,19-20H2,2-4H3,(H,32,35)/t25-,28?,31?/m0/s1