3-(3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)propanoic acid

Systemtic Name: 3-(3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)propanoic acid Openeye Name: 3-(3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)propanoic acid CAS Name: 3-(3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)propanoic acid IUPAC Name: 3-(3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)propanoic acid Traditional Name: 3-(3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)propionic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC2=CC=CC=C2CO1)CCC(=O)O

Isomeric SMILES

CC1(OCC2=CC=CC=C2CO1)CCC(=O)O

InChI

InChI=1S/C13H16O4/c1-13(7-6-12(14)15)16-8-10-4-2-3-5-11(10)9-17-13/h2-5H,6-9H2,1H3,(H,14,15)