3-[5-acetyloxy-2,2-dimethyl-7-(5-phenylpentan-2-yloxy)-3,4-dihydrochromen-3-yl]propanoic acid

Systemtic Name: 3-[5-acetyloxy-2,2-dimethyl-7-(5-phenylpentan-2-yloxy)-3,4-dihydrochromen-3-yl]propanoic acid Openeye Name: 3-[5-acetoxy-2,2-dimethyl-7-(1-methyl-4-phenyl-butoxy)chroman-3-yl]propanoic acid CAS Name: 3-[5-acetyloxy-2,2-dimethyl-7-(5-phenylpentan-2-yloxy)-3,4-dihydro-2H-1-benzopyran-3-yl]propanoic acid IUPAC Name: 3-[5-acetyloxy-2,2-dimethyl-7-(5-phenylpentan-2-yloxy)-3,4-dihydrochromen-3-yl]propanoic acid Traditional Name: 3-[5-acetoxy-2,2-dimethyl-7-(1-methyl-4-phenyl-butoxy)chroman-3-yl]propionic acid Formula: C27H34O6 MolecularWeight: 454.55526

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)OC2=CC(=C3CC(C(OC3=C2)(C)C)CCC(=O)O)OC(=O)C

Isomeric SMILES

CC(CCCC1=CC=CC=C1)OC2=CC(=C3CC(C(OC3=C2)(C)C)CCC(=O)O)OC(=O)C

InChI

InChI=1S/C27H34O6/c1-18(9-8-12-20-10-6-5-7-11-20)31-22-16-24(32-19(2)28)23-15-21(13-14-26(29)30)27(3,4)33-25(23)17-22/h5-7,10-11,16-18,21H,8-9,12-15H2,1-4H3,(H,29,30)