4-[2-(1-heptyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(1-heptyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(1-heptyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid CAS Name: 4-[2-(1-heptyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(1-heptyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(1-heptyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C

Isomeric SMILES

CCCCCCCN1CCC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C

InChI

InChI=1S/C27H33NO2/c1-4-5-6-7-8-18-28-19-17-27(2,3)24-20-22(13-16-25(24)28)10-9-21-11-14-23(15-12-21)26(29)30/h11-16,20H,4-8,17-19H2,1-3H3,(H,29,30)