2-[3-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-2-methyl-4-oxidanylidene-8-propyl-3H-chromen-2-yl]propanoyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[3-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-2-methyl-4-oxidanylidene-8-propyl-3H-chromen-2-yl]propanoyl-methyl-amino]ethanoic acid Openeye Name: 2-[3-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-2-methyl-4-oxo-8-propyl-chroman-2-yl]propanoyl-methyl-amino]acetic acid CAS Name: 2-[[3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-methyl-4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl]-1-oxopropyl]-methylamino]acetic acid IUPAC Name: 2-[3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-methyl-4-oxo-8-propyl-3H-chromen-2-yl]propanoyl-methylamino]acetic acid Traditional Name: 2-[3-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-keto-2-methyl-8-propyl-chroman-2-yl]propanoyl-methyl-amino]acetic acid Formula: C33H43NO9 MolecularWeight: 597.69582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C3=C(C=C2)C(=O)CC(O3)(C)CCC(=O)N(C)CC(=O)O)CCC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C3=C(C=C2)C(=O)CC(O3)(C)CCC(=O)N(C)CC(=O)O)CCC

InChI

InChI=1S/C33H43NO9/c1-6-9-24-27(13-11-22(21(3)35)31(24)40)41-17-8-18-42-28-14-12-23-26(36)19-33(4,43-32(23)25(28)10-7-2)16-15-29(37)34(5)20-30(38)39/h11-14,40H,6-10,15-20H2,1-5H3,(H,38,39)