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

Systemtic Name: ethyl 4-[2-(1-heptyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(1-heptyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoate CAS Name: 4-[2-(1-heptyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-heptyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(1-heptyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid ethyl ester Formula: C29H37NO2 MolecularWeight: 431.60958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO2/c1-5-7-8-9-10-20-30-21-19-29(3,4)26-22-24(15-18-27(26)30)12-11-23-13-16-25(17-14-23)28(31)32-6-2/h13-18,22H,5-10,19-21H2,1-4H3