4-oxidanylidene-4-[4-(3-phenylmethoxyprop-1-ynyl)phenyl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[4-(3-phenylmethoxyprop-1-ynyl)phenyl]butanoic acid Openeye Name: 4-[4-(3-benzyloxyprop-1-ynyl)phenyl]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[4-(3-phenylmethoxyprop-1-ynyl)phenyl]butanoic acid IUPAC Name: 4-oxo-4-[4-(3-phenylmethoxyprop-1-ynyl)phenyl]butanoic acid Traditional Name: 4-[4-(3-benzoxyprop-1-ynyl)phenyl]-4-keto-butyric acid Formula: C20H18O4 MolecularWeight: 322.35452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC#CC2=CC=C(C=C2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COCC#CC2=CC=C(C=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C20H18O4/c21-19(12-13-20(22)23)18-10-8-16(9-11-18)7-4-14-24-15-17-5-2-1-3-6-17/h1-3,5-6,8-11H,12-15H2,(H,22,23)