6-ethyl-2-(2-propoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-ethyl-2-(2-propoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 6-ethyl-2-(2-propoxyphenyl)quinoline-4-carboxylic acid CAS Name: 6-ethyl-2-(2-propoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-ethyl-2-(2-propoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6-ethyl-2-(2-propoxyphenyl)cinchoninic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC3=C(C=C(C=C3)CC)C(=C2)C(=O)O

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC3=C(C=C(C=C3)CC)C(=C2)C(=O)O

InChI

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