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2-[3-(4-isoquinolin-5-ylphenyl)propanoylamino]benzoic acid

2-[3-(4-isoquinolin-5-ylphenyl)propanoylamino]benzoic acid

Systemtic Name:2-[3-(4-isoquinolin-5-ylphenyl)propanoylamino]benzoic acid
Openeye Name:2-[3-[4-(5-isoquinolyl)phenyl]propanoylamino]benzoic acid
CAS Name:2-[[3-[4-(5-isoquinolinyl)phenyl]-1-oxopropyl]amino]benzoic acid
IUPAC Name:2-[3-(4-isoquinolin-5-ylphenyl)propanoylamino]benzoic acid
Traditional Name:2-[3-[4-(5-isoquinolyl)phenyl]propanoylamino]benzoic acid
Formula: C25H20N2O3
MolecularWeight: 396.4379
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)C3=CC=CC4=C3C=CN=C4


Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)C3=CC=CC4=C3C=CN=C4


InChI

InChI=1S/C25H20N2O3/c28-24(27-23-7-2-1-5-22(23)25(29)30)13-10-17-8-11-18(12-9-17)20-6-3-4-19-16-26-15-14-21(19)20/h1-9,11-12,14-16H,10,13H2,(H,27,28)(H,29,30)


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