(2S)-2-ethoxy-3-[(2R)-2-[(4-phenylmethoxyphenyl)methyl]-2H-chromen-6-yl]propanoic acid

Systemtic Name: (2S)-2-ethoxy-3-[(2R)-2-[(4-phenylmethoxyphenyl)methyl]-2H-chromen-6-yl]propanoic acid Openeye Name: (2S)-3-[(2R)-2-[(4-benzyloxyphenyl)methyl]-2H-chromen-6-yl]-2-ethoxy-propanoic acid CAS Name: (2S)-2-ethoxy-3-[(2R)-2-[(4-phenylmethoxyphenyl)methyl]-2H-1-benzopyran-6-yl]propanoic acid IUPAC Name: (2S)-2-ethoxy-3-[(2R)-2-[(4-phenylmethoxyphenyl)methyl]-2H-chromen-6-yl]propanoic acid Traditional Name: (2S)-3-[(2R)-2-(4-benzoxybenzyl)-2H-chromen-6-yl]-2-ethoxy-propionic acid Formula: C28H28O5 MolecularWeight: 444.51892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC2=C(C=C1)OC(C=C2)CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCO[C@@H](CC1=CC2=C(C=C1)O[C@@H](C=C2)CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H28O5/c1-2-31-27(28(29)30)18-22-10-15-26-23(16-22)11-14-25(33-26)17-20-8-12-24(13-9-20)32-19-21-6-4-3-5-7-21/h3-16,25,27H,2,17-19H2,1H3,(H,29,30)/t25-,27-/m0/s1