4,4-dimethyl-7-oct-1-yn-3-yl-2,3-dihydroquinoline-1-carboxylic acid

Systemtic Name: 4,4-dimethyl-7-oct-1-yn-3-yl-2,3-dihydroquinoline-1-carboxylic acid Openeye Name: 7-(1-ethynylhexyl)-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid CAS Name: 4,4-dimethyl-7-oct-1-yn-3-yl-2,3-dihydroquinoline-1-carboxylic acid IUPAC Name: 4,4-dimethyl-7-oct-1-yn-3-yl-2,3-dihydroquinoline-1-carboxylic acid Traditional Name: 7-(1-amylprop-2-ynyl)-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#C)C1=CC2=C(C=C1)C(CCN2C(=O)O)(C)C

Isomeric SMILES

CCCCCC(C#C)C1=CC2=C(C=C1)C(CCN2C(=O)O)(C)C

InChI

InChI=1S/C20H27NO2/c1-5-7-8-9-15(6-2)16-10-11-17-18(14-16)21(19(22)23)13-12-20(17,3)4/h2,10-11,14-15H,5,7-9,12-13H2,1,3-4H3,(H,22,23)