(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-pentanoic acid

Systemtic Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-pentanoic acid Openeye Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-pentanoic acid CAS Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanoic acid IUPAC Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanoic acid Traditional Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-valeric acid Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)[C@H](CC(=O)O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C14H18O4/c1-9(2)11(8-14(15)16)10-3-4-12-13(7-10)18-6-5-17-12/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,15,16)/t11-/m0/s1