ethyl 4-[2-(5-tert-butyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(5-tert-butyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(5-tert-butyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoate CAS Name: 4-[2-(5-tert-butyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-tert-butyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoate Traditional Name: 4-[2-(5-tert-butyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoic acid ethyl ester Formula: C27H30O2 MolecularWeight: 386.5259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30O2/c1-7-29-25(28)21-13-10-19(11-14-21)8-9-20-12-15-22-23(26(2,3)4)16-17-27(5,6)24(22)18-20/h10-16,18H,7,17H2,1-6H3