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

Systemtic Name: ethyl 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(1-isopropyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoate CAS Name: 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(1-isopropyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid ethyl ester Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N(CCC3(C)C)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N(CCC3(C)C)C(C)C

InChI

InChI=1S/C25H29NO2/c1-6-28-24(27)21-12-9-19(10-13-21)7-8-20-11-14-23-22(17-20)25(4,5)15-16-26(23)18(2)3/h9-14,17-18H,6,15-16H2,1-5H3