tert-butyl (2S)-3-[3-(7-bromanyl-2-oxidanylidene-3H-1-benzofuran-3-yl)-4-phenylmethoxy-phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl (2S)-3-[3-(7-bromanyl-2-oxidanylidene-3H-1-benzofuran-3-yl)-4-phenylmethoxy-phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl (2S)-3-[4-benzyloxy-3-(7-bromo-2-oxo-3H-benzofuran-3-yl)phenyl]-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-3-[3-(7-bromo-2-oxo-3H-benzofuran-3-yl)-4-phenylmethoxyphenyl]-2-(phenylmethoxycarbonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-[3-(7-bromo-2-oxo-3H-1-benzofuran-3-yl)-4-phenylmethoxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-[4-benzoxy-3-(7-bromo-2-keto-coumaran-3-yl)phenyl]-2-(benzyloxycarbonylamino)propionic acid tert-butyl ester Formula: C36H34BrNO7 MolecularWeight: 672.56166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3C4=C(C(=CC=C4)Br)OC3=O)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3C4=C(C(=CC=C4)Br)OC3=O)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C36H34BrNO7/c1-36(2,3)45-33(39)29(38-35(41)43-22-24-13-8-5-9-14-24)20-25-17-18-30(42-21-23-11-6-4-7-12-23)27(19-25)31-26-15-10-16-28(37)32(26)44-34(31)40/h4-19,29,31H,20-22H2,1-3H3,(H,38,41)/t29-,31?/m0/s1