6-ethyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)OC(C)C

InChI

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