8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4H-1,3-benzodioxine-6-carboxylic acid

Systemtic Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4H-1,3-benzodioxine-6-carboxylic acid Openeye Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4H-1,3-benzodioxine-6-carboxylic acid CAS Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4H-1,3-benzodioxin-6-carboxylic acid IUPAC Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4H-1,3-benzodioxine-6-carboxylic acid Traditional Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4H-1,3-benzodioxin-6-carboxylic acid Formula: C19H19NO4 MolecularWeight: 325.35846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC(=CC4=C3OCOC4)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC(=CC4=C3OCOC4)C(=O)O

InChI

InChI=1S/C19H19NO4/c21-19(22)15-7-16(18-17(8-15)11-23-12-24-18)10-20-6-5-13-3-1-2-4-14(13)9-20/h1-4,7-8H,5-6,9-12H2,(H,21,22)