4-[3-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)oct-1-ynyl]benzoic acid

Systemtic Name: 4-[3-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)oct-1-ynyl]benzoic acid Openeye Name: 4-[3-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)oct-1-ynyl]benzoic acid CAS Name: 4-[3-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)oct-1-ynyl]benzoic acid IUPAC Name: 4-[3-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)oct-1-ynyl]benzoic acid Traditional Name: 4-[3-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)oct-1-ynyl]benzoic acid Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(CCN3C)(C)C

Isomeric SMILES

CCCCCC(C#CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(CCN3C)(C)C

InChI

InChI=1S/C27H33NO2/c1-5-6-7-8-21(12-9-20-10-13-22(14-11-20)26(29)30)23-15-16-24-25(19-23)28(4)18-17-27(24,2)3/h10-11,13-16,19,21H,5-8,17-18H2,1-4H3,(H,29,30)