3-phenylmethoxy-6-propoxy-quinoline-2-carboxylic acid

Systemtic Name: 3-phenylmethoxy-6-propoxy-quinoline-2-carboxylic acid Openeye Name: 3-benzyloxy-6-propoxy-quinoline-2-carboxylic acid CAS Name: 3-phenylmethoxy-6-propoxy-2-quinolinecarboxylic acid IUPAC Name: 3-phenylmethoxy-6-propoxyquinoline-2-carboxylic acid Traditional Name: 3-benzoxy-6-propoxy-quinaldic acid Formula: C20H19NO4 MolecularWeight: 337.36916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=CC(=C(N=C2C=C1)C(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC2=CC(=C(N=C2C=C1)C(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H19NO4/c1-2-10-24-16-8-9-17-15(11-16)12-18(19(21-17)20(22)23)25-13-14-6-4-3-5-7-14/h3-9,11-12H,2,10,13H2,1H3,(H,22,23)