2-[[(Z)-3-isoquinolin-1-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(Z)-3-isoquinolin-1-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(Z)-3-(1-isoquinolyl)but-2-enoyl]amino]benzoic acid CAS Name: 2-[[(Z)-3-(1-isoquinolinyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(Z)-3-isoquinolin-1-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(Z)-3-(1-isoquinolyl)but-2-enoyl]amino]benzoic acid Formula: C20H16N2O3 MolecularWeight: 332.35264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

C/C(=C/C(=O)NC1=CC=CC=C1C(=O)O)/C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C20H16N2O3/c1-13(19-15-7-3-2-6-14(15)10-11-21-19)12-18(23)22-17-9-5-4-8-16(17)20(24)25/h2-12H,1H3,(H,22,23)(H,24,25)/b13-12-