AC1MFFT3

4-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid

Also Known As: Oprea1_515119|AG-205/37268038|4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoic acid|4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl)benzoic acid|4-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid|4-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid|4-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl]benzoic acid

Molecular Formula	C25H23NO6
Molecular Weight	433.15253 g/mol
LogP	4.0893
Topological Polar Surface Area	85.3 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	433.15253
Monoisotopic Mass	433.15253
Heavy Atoms	32
Complexity	1154.2997

Chemical Identifiers

CAS Number	309271-72-5
SMILES	COC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=C(C=C4)C(=O)O)OC)OC