(phenylmethyl) 4-(2-phenylethynyl)-2-phenylmethoxy-benzoate

Systemtic Name: (phenylmethyl) 4-(2-phenylethynyl)-2-phenylmethoxy-benzoate Openeye Name: benzyl 2-benzyloxy-4-(2-phenylethynyl)benzoate CAS Name: 4-(2-phenylethynyl)-2-phenylmethoxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-phenylethynyl)-2-phenylmethoxybenzoate Traditional Name: 2-benzoxy-4-(2-phenylethynyl)benzoic acid benzyl ester Formula: C29H22O3 MolecularWeight: 418.48318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=CC(=C2)C#CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2)C#CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H22O3/c30-29(32-22-26-14-8-3-9-15-26)27-19-18-24(17-16-23-10-4-1-5-11-23)20-28(27)31-21-25-12-6-2-7-13-25/h1-15,18-20H,21-22H2