7-[1,1-bis(bromanyl)oct-1-en-3-yl]-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid

Systemtic Name: 7-[1,1-bis(bromanyl)oct-1-en-3-yl]-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid Openeye Name: 7-[1-(2,2-dibromovinyl)hexyl]-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid CAS Name: 7-(1,1-dibromooct-1-en-3-yl)-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid IUPAC Name: 7-(1,1-dibromooct-1-en-3-yl)-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid Traditional Name: 7-(1-amyl-3,3-dibromo-allyl)-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylic acid Formula: C20H27Br2NO2 MolecularWeight: 473.24188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27Br2NO2/c1-4-5-6-7-14(13-18(21)22)15-8-9-16-17(12-15)23(19(24)25)11-10-20(16,2)3/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,24,25)