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

Systemtic Name: 6-ethyl-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxylic acid Openeye Name: 6-ethyl-2-(2-isopropoxyphenyl)quinoline-4-carboxylic acid CAS Name: 6-ethyl-2-(2-propan-2-yloxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-ethyl-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6-ethyl-2-(2-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=CC=C3OC(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CC=C3OC(C)C

InChI

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