methyl 3-deuterio-4-[4-methoxycarbonyl-2-(2-phenylethynyl)phenyl]benzoate

Systemtic Name: methyl 3-deuterio-4-[4-methoxycarbonyl-2-(2-phenylethynyl)phenyl]benzoate Openeye Name: methyl 3-deuterio-4-[4-methoxycarbonyl-2-(2-phenylethynyl)phenyl]benzoate CAS Name: 3-deuterio-4-[4-methoxycarbonyl-2-(2-phenylethynyl)phenyl]benzoic acid methyl ester IUPAC Name: methyl 3-deuterio-4-[4-methoxycarbonyl-2-(2-phenylethynyl)phenyl]benzoate Traditional Name: 4-[4-carbomethoxy-2-(2-phenylethynyl)phenyl]-3-deuterio-benzoic acid methyl ester Formula: C24H18O4 MolecularWeight: 371.403482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC)C#CC3=CC=CC=C3

Isomeric SMILES

[2H]C1=CC(=CC=C1C2=C(C=C(C=C2)C(=O)OC)C#CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H18O4/c1-27-23(25)19-12-10-18(11-13-19)22-15-14-21(24(26)28-2)16-20(22)9-8-17-6-4-3-5-7-17/h3-7,10-16H,1-2H3/i10D