methyl 4-(4-methoxyphenyl)-3-(2-phenylethynyl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-(4-methoxyphenyl)-3-(2-phenylethynyl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)-3-(2-phenylethynyl)-1H-pyrrole-2-carboxylate CAS Name: 4-(4-methoxyphenyl)-3-(2-phenylethynyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)-3-(2-phenylethynyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-methoxyphenyl)-3-(2-phenylethynyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C21H17NO3 MolecularWeight: 331.36458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CNC(=C2C#CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CNC(=C2C#CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H17NO3/c1-24-17-11-9-16(10-12-17)19-14-22-20(21(23)25-2)18(19)13-8-15-6-4-3-5-7-15/h3-7,9-12,14,22H,1-2H3