2-[(3S,4R)-3-(cyclohexylmethyl)-4-oxidanyl-3,4-dihydro-2H-chromen-7-yl]-2-methyl-propanoic acid

Systemtic Name: 2-[(3S,4R)-3-(cyclohexylmethyl)-4-oxidanyl-3,4-dihydro-2H-chromen-7-yl]-2-methyl-propanoic acid Openeye Name: 2-[(3S,4R)-3-(cyclohexylmethyl)-4-hydroxy-chroman-7-yl]-2-methyl-propanoic acid CAS Name: 2-[(3S,4R)-3-(cyclohexylmethyl)-4-hydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid IUPAC Name: 2-[(3S,4R)-3-(cyclohexylmethyl)-4-hydroxy-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid Traditional Name: 2-[(3S,4R)-3-(cyclohexylmethyl)-4-hydroxy-chroman-7-yl]-2-methyl-propionic acid Formula: C20H28O4 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC2=C(C=C1)C(C(CO2)CC3CCCCC3)O)C(=O)O

Isomeric SMILES

CC(C)(C1=CC2=C(C=C1)[C@@H]([C@H](CO2)CC3CCCCC3)O)C(=O)O

InChI

InChI=1S/C20H28O4/c1-20(2,19(22)23)15-8-9-16-17(11-15)24-12-14(18(16)21)10-13-6-4-3-5-7-13/h8-9,11,13-14,18,21H,3-7,10,12H2,1-2H3,(H,22,23)/t14-,18+/m0/s1