2-(4-ethylphenyl)-6-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-ethylphenyl)-6-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 2-(4-ethylphenyl)-6-isopropyl-quinoline-4-carboxylic acid CAS Name: 2-(4-ethylphenyl)-6-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-ethylphenyl)-6-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 2-(4-ethylphenyl)-6-isopropyl-cinchoninic acid Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(C)C)C(=C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(C)C)C(=C2)C(=O)O

InChI

InChI=1S/C21H21NO2/c1-4-14-5-7-15(8-6-14)20-12-18(21(23)24)17-11-16(13(2)3)9-10-19(17)22-20/h5-13H,4H2,1-3H3,(H,23,24)