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

Systemtic Name: 3-[2,2-dimethyl-5-oxidanyl-7-(5-phenylpentan-2-yloxy)-3,4-dihydrochromen-3-yl]butanoic acid Openeye Name: 3-[5-hydroxy-2,2-dimethyl-7-(1-methyl-4-phenyl-butoxy)chroman-3-yl]butanoic acid CAS Name: 3-[5-hydroxy-2,2-dimethyl-7-(5-phenylpentan-2-yloxy)-3,4-dihydro-2H-1-benzopyran-3-yl]butanoic acid IUPAC Name: 3-[5-hydroxy-2,2-dimethyl-7-(5-phenylpentan-2-yloxy)-3,4-dihydrochromen-3-yl]butanoic acid Traditional Name: 3-[5-hydroxy-2,2-dimethyl-7-(1-methyl-4-phenyl-butoxy)chroman-3-yl]butyric acid Formula: C26H34O5 MolecularWeight: 426.54516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34O5/c1-17(13-25(28)29)22-16-21-23(27)14-20(15-24(21)31-26(22,3)4)30-18(2)9-8-12-19-10-6-5-7-11-19/h5-7,10-11,14-15,17-18,22,27H,8-9,12-13,16H2,1-4H3,(H,28,29)