3-[3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]phenyl]propanoic acid Openeye Name: 3-[3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]phenyl]propanoic acid CAS Name: 3-[3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]phenyl]propanoic acid Traditional Name: 3-[3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]phenyl]propionic acid Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CNCC3=CC=CC(=C3)CCC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CNCC3=CC=CC(=C3)CCC(=O)O

InChI

InChI=1S/C19H21NO4/c21-19(22)7-5-14-2-1-3-15(10-14)12-20-13-16-4-6-17-18(11-16)24-9-8-23-17/h1-4,6,10-11,20H,5,7-9,12-13H2,(H,21,22)