3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxo-ethyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-keto-ethyl]-1-methyl-indole-2-carboxylic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H20N2O5/c1-23-16-7-3-2-6-14(16)15(20(23)21(25)26)10-19(24)22-11-13-12-27-17-8-4-5-9-18(17)28-13/h2-9,13H,10-12H2,1H3,(H,22,24)(H,25,26)