ethynyl 2-[(4Z)-4-(cyanomethylidene)-8,8-dimethyl-6,7-dihydronaphthalen-2-yl]-3-ethyl-benzoate

Systemtic Name: ethynyl 2-[(4Z)-4-(cyanomethylidene)-8,8-dimethyl-6,7-dihydronaphthalen-2-yl]-3-ethyl-benzoate Openeye Name: ethynyl 2-[(4Z)-4-(cyanomethylene)-8,8-dimethyl-6,7-dihydronaphthalen-2-yl]-3-ethyl-benzoate CAS Name: 2-[(4Z)-4-(cyanomethylidene)-8,8-dimethyl-6,7-dihydronaphthalen-2-yl]-3-ethylbenzoic acid ethynyl ester IUPAC Name: ethynyl 2-[(4Z)-4-(cyanomethylidene)-8,8-dimethyl-6,7-dihydronaphthalen-2-yl]-3-ethylbenzoate Traditional Name: 2-[(4Z)-4-(cyanomethylene)-8,8-dimethyl-6,7-dihydronaphthalen-2-yl]-3-ethyl-benzoic acid ethynyl ester Formula: C25H23NO2 MolecularWeight: 369.45562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1C2=CC(=CC#N)C3=CCCC(C3=C2)(C)C)C(=O)OC#C

Isomeric SMILES

CCC1=CC=CC(=C1C2=C/C(=C/C#N)/C3=CCCC(C3=C2)(C)C)C(=O)OC#C

InChI

InChI=1S/C25H23NO2/c1-5-17-9-7-10-21(24(27)28-6-2)23(17)19-15-18(12-14-26)20-11-8-13-25(3,4)22(20)16-19/h2,7,9-12,15-16H,5,8,13H2,1,3-4H3/b18-12-