ethyl 6-butyl-5-(2-phenylethynyl)-2,3-dihydro-1H-indene-4-carboxylate

Systemtic Name: ethyl 6-butyl-5-(2-phenylethynyl)-2,3-dihydro-1H-indene-4-carboxylate Openeye Name: ethyl 6-butyl-5-(2-phenylethynyl)indane-4-carboxylate CAS Name: 6-butyl-5-(2-phenylethynyl)-2,3-dihydro-1H-indene-4-carboxylic acid ethyl ester IUPAC Name: ethyl 6-butyl-5-(2-phenylethynyl)-2,3-dihydro-1H-indene-4-carboxylate Traditional Name: 6-butyl-5-(2-phenylethynyl)indane-4-carboxylic acid ethyl ester Formula: C24H26O2 MolecularWeight: 346.46204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C2CCCC2=C1)C(=O)OCC)C#CC3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(C(=C2CCCC2=C1)C(=O)OCC)C#CC3=CC=CC=C3

InChI

InChI=1S/C24H26O2/c1-3-5-12-19-17-20-13-9-14-21(20)23(24(25)26-4-2)22(19)16-15-18-10-7-6-8-11-18/h6-8,10-11,17H,3-5,9,12-14H2,1-2H3