8-ethyl-2-(3-propoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 8-ethyl-2-(3-propoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 8-ethyl-2-(3-propoxyphenyl)quinoline-4-carboxylic acid CAS Name: 8-ethyl-2-(3-propoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 8-ethyl-2-(3-propoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 8-ethyl-2-(3-propoxyphenyl)cinchoninic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC3=C(C=CC=C3CC)C(=C2)C(=O)O

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NC3=C(C=CC=C3CC)C(=C2)C(=O)O

InChI

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