2-[3-(1-methoxyisoquinolin-7-yl)propanoylamino]benzoic acid

Systemtic Name: 2-[3-(1-methoxyisoquinolin-7-yl)propanoylamino]benzoic acid Openeye Name: 2-[3-(1-methoxy-7-isoquinolyl)propanoylamino]benzoic acid CAS Name: 2-[[3-(1-methoxy-7-isoquinolinyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-(1-methoxyisoquinolin-7-yl)propanoylamino]benzoic acid Traditional Name: 2-[3-(1-methoxy-7-isoquinolyl)propanoylamino]benzoic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC2=C1C=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=NC=CC2=C1C=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H18N2O4/c1-26-19-16-12-13(6-8-14(16)10-11-21-19)7-9-18(23)22-17-5-3-2-4-15(17)20(24)25/h2-6,8,10-12H,7,9H2,1H3,(H,22,23)(H,24,25)