4,4-dimethyl-7-(1-oxidanylheptan-2-yl)-2,3-dihydroquinoline-1-carboxylic acid

Systemtic Name: 4,4-dimethyl-7-(1-oxidanylheptan-2-yl)-2,3-dihydroquinoline-1-carboxylic acid Openeye Name: 7-[1-(hydroxymethyl)hexyl]-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid CAS Name: 7-(1-hydroxyheptan-2-yl)-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid IUPAC Name: 7-(1-hydroxyheptan-2-yl)-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid Traditional Name: 4,4-dimethyl-7-(1-methylolhexyl)-2,3-dihydroquinoline-1-carboxylic acid Formula: C19H29NO3 MolecularWeight: 319.43846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO3/c1-4-5-6-7-15(13-21)14-8-9-16-17(12-14)20(18(22)23)11-10-19(16,2)3/h8-9,12,15,21H,4-7,10-11,13H2,1-3H3,(H,22,23)