methyl 3-[[2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoate CAS Name: 3-[[[2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoate Traditional Name: 3-[[2-(2-furoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoic acid methyl ester Formula: C23H20N2O5 MolecularWeight: 404.4153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4

InChI

InChI=1S/C23H20N2O5/c1-29-23(28)16-8-4-9-18(12-16)24-21(26)19-13-15-6-2-3-7-17(15)14-25(19)22(27)20-10-5-11-30-20/h2-12,19H,13-14H2,1H3,(H,24,26)