6-ethoxy-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-ethoxy-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-ethoxy-2-(4-isopropylphenyl)quinoline-4-carboxylic acid CAS Name: 6-ethoxy-2-(4-propan-2-ylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-ethoxy-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-ethoxy-2-p-cumenyl-cinchoninic acid Formula: C21H21NO3 MolecularWeight: 335.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H21NO3/c1-4-25-16-9-10-19-17(11-16)18(21(23)24)12-20(22-19)15-7-5-14(6-8-15)13(2)3/h5-13H,4H2,1-3H3,(H,23,24)