2-(3,4-dimethylphenyl)-N-[(2S)-2-ethylhexyl]quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)-N-[(2S)-2-ethylhexyl]quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-[(2S)-2-ethylhexyl]quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-[(2S)-2-ethylhexyl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-[(2S)-2-ethylhexyl]quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-[(2S)-2-ethylhexyl]cinchoninamide Formula: C26H32N2O MolecularWeight: 388.54508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C26H32N2O/c1-5-7-10-20(6-2)17-27-26(29)23-16-25(21-14-13-18(3)19(4)15-21)28-24-12-9-8-11-22(23)24/h8-9,11-16,20H,5-7,10,17H2,1-4H3,(H,27,29)/t20-/m0/s1