3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonylamino]benzoate

Systemtic Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonylamino]benzoate Openeye Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]benzoate CAS Name: 3-[[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]amino]benzoate IUPAC Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]benzoate Traditional Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]benzoate Formula: C19H19N2O5- MolecularWeight: 355.36456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)NC3=CC=CC(=C3)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)NC3=CC=CC(=C3)C(=O)[O-])OC

InChI

InChI=1S/C19H20N2O5/c1-25-16-9-12-6-7-21(11-14(12)10-17(16)26-2)19(24)20-15-5-3-4-13(8-15)18(22)23/h3-5,8-10H,6-7,11H2,1-2H3,(H,20,24)(H,22,23)/p-1