2-(3-isoquinolin-6-ylpropanoylamino)benzoic acid

Systemtic Name: 2-(3-isoquinolin-6-ylpropanoylamino)benzoic acid Openeye Name: 2-[3-(6-isoquinolyl)propanoylamino]benzoic acid CAS Name: 2-[[3-(6-isoquinolinyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-(3-isoquinolin-6-ylpropanoylamino)benzoic acid Traditional Name: 2-[3-(6-isoquinolyl)propanoylamino]benzoic acid Formula: C19H16N2O3 MolecularWeight: 320.34194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC3=C(C=C2)C=NC=C3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC3=C(C=C2)C=NC=C3

InChI

InChI=1S/C19H16N2O3/c22-18(21-17-4-2-1-3-16(17)19(23)24)8-6-13-5-7-15-12-20-10-9-14(15)11-13/h1-5,7,9-12H,6,8H2,(H,21,22)(H,23,24)