ethyl 4-oxidanylidene-4-[4-(3-phenylmethoxyprop-1-ynyl)phenyl]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[4-(3-phenylmethoxyprop-1-ynyl)phenyl]butanoate Openeye Name: ethyl 4-[4-(3-benzyloxyprop-1-ynyl)phenyl]-4-oxo-butanoate CAS Name: 4-oxo-4-[4-(3-phenylmethoxyprop-1-ynyl)phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[4-(3-phenylmethoxyprop-1-ynyl)phenyl]butanoate Traditional Name: 4-[4-(3-benzoxyprop-1-ynyl)phenyl]-4-keto-butyric acid ethyl ester Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)C1=CC=C(C=C1)C#CCOCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC(=O)C1=CC=C(C=C1)C#CCOCC2=CC=CC=C2

InChI

InChI=1S/C22H22O4/c1-2-26-22(24)15-14-21(23)20-12-10-18(11-13-20)9-6-16-25-17-19-7-4-3-5-8-19/h3-5,7-8,10-13H,2,14-17H2,1H3