methyl 5-isoquinolin-3-yl-1,3-benzodioxole-4-carboxylate

Systemtic Name: methyl 5-isoquinolin-3-yl-1,3-benzodioxole-4-carboxylate Openeye Name: methyl 5-(3-isoquinolyl)-1,3-benzodioxole-4-carboxylate CAS Name: 5-(3-isoquinolinyl)-1,3-benzodioxole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-isoquinolin-3-yl-1,3-benzodioxole-4-carboxylate Traditional Name: 5-(3-isoquinolyl)-1,3-benzodioxole-4-carboxylic acid methyl ester Formula: C18H13NO4 MolecularWeight: 307.30012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC2=C1OCO2)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

COC(=O)C1=C(C=CC2=C1OCO2)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C18H13NO4/c1-21-18(20)16-13(6-7-15-17(16)23-10-22-15)14-8-11-4-2-3-5-12(11)9-19-14/h2-9H,10H2,1H3