2-(3-isoquinolin-5-ylpropanoylamino)benzoic acid

Systemtic Name: 2-(3-isoquinolin-5-ylpropanoylamino)benzoic acid Openeye Name: 2-[3-(5-isoquinolyl)propanoylamino]benzoic acid CAS Name: 2-[[3-(5-isoquinolinyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-(3-isoquinolin-5-ylpropanoylamino)benzoic acid Traditional Name: 2-[3-(5-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=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC=CC3=C2C=CN=C3

InChI

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