ethyl 4-(6,7-diethoxy-3-oxidanylidene-1-phenyl-1,4-dihydroisoquinolin-2-yl)benzoate

Systemtic Name: ethyl 4-(6,7-diethoxy-3-oxidanylidene-1-phenyl-1,4-dihydroisoquinolin-2-yl)benzoate Openeye Name: ethyl 4-(6,7-diethoxy-3-oxo-1-phenyl-1,4-dihydroisoquinolin-2-yl)benzoate CAS Name: 4-(6,7-diethoxy-3-oxo-1-phenyl-1,4-dihydroisoquinolin-2-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(6,7-diethoxy-3-oxo-1-phenyl-1,4-dihydroisoquinolin-2-yl)benzoate Traditional Name: 4-(6,7-diethoxy-3-keto-1-phenyl-1,4-dihydroisoquinolin-2-yl)benzoic acid ethyl ester Formula: C28H29NO5 MolecularWeight: 459.53356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)OCC)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)OCC)C4=CC=CC=C4)OCC

InChI

InChI=1S/C28H29NO5/c1-4-32-24-16-21-17-26(30)29(22-14-12-20(13-15-22)28(31)34-6-3)27(19-10-8-7-9-11-19)23(21)18-25(24)33-5-2/h7-16,18,27H,4-6,17H2,1-3H3