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

Systemtic Name: ethyl 4-oxidanylidene-4-[4-(2-phenylethynyl)phenyl]-3-(phenylmethyl)butanoate Openeye Name: ethyl 3-benzyl-4-oxo-4-[4-(2-phenylethynyl)phenyl]butanoate CAS Name: 4-oxo-4-[4-(2-phenylethynyl)phenyl]-3-(phenylmethyl)butanoic acid ethyl ester IUPAC Name: ethyl 3-benzyl-4-oxo-4-[4-(2-phenylethynyl)phenyl]butanoate Traditional Name: 3-benzyl-4-keto-4-[4-(2-phenylethynyl)phenyl]butyric acid ethyl ester Formula: C27H24O3 MolecularWeight: 396.47766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C27H24O3/c1-2-30-26(28)20-25(19-23-11-7-4-8-12-23)27(29)24-17-15-22(16-18-24)14-13-21-9-5-3-6-10-21/h3-12,15-18,25H,2,19-20H2,1H3