ethyl 3-(cyclopentylmethyl)-4-oxidanylidene-4-[4-(2-phenylethynyl)phenyl]butanoate

Systemtic Name: ethyl 3-(cyclopentylmethyl)-4-oxidanylidene-4-[4-(2-phenylethynyl)phenyl]butanoate Openeye Name: ethyl 3-(cyclopentylmethyl)-4-oxo-4-[4-(2-phenylethynyl)phenyl]butanoate CAS Name: 3-(cyclopentylmethyl)-4-oxo-4-[4-(2-phenylethynyl)phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 3-(cyclopentylmethyl)-4-oxo-4-[4-(2-phenylethynyl)phenyl]butanoate Traditional Name: 3-(cyclopentylmethyl)-4-keto-4-[4-(2-phenylethynyl)phenyl]butyric acid ethyl ester Formula: C26H28O3 MolecularWeight: 388.49872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC1CCCC1)C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(CC1CCCC1)C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C26H28O3/c1-2-29-25(27)19-24(18-22-10-6-7-11-22)26(28)23-16-14-21(15-17-23)13-12-20-8-4-3-5-9-20/h3-5,8-9,14-17,22,24H,2,6-7,10-11,18-19H2,1H3