2-trimethylsilylethyl 4-[bis[5-(4-ethynylphenyl)carbonyl-1H-pyrrol-2-yl]methyl]benzoate

Systemtic Name: 2-trimethylsilylethyl 4-[bis[5-(4-ethynylphenyl)carbonyl-1H-pyrrol-2-yl]methyl]benzoate Openeye Name: 2-trimethylsilylethyl 4-[bis[5-(4-ethynylbenzoyl)-1H-pyrrol-2-yl]methyl]benzoate CAS Name: 4-[bis[5-[(4-ethynylphenyl)-oxomethyl]-1H-pyrrol-2-yl]methyl]benzoic acid 2-trimethylsilylethyl ester IUPAC Name: 2-trimethylsilylethyl 4-[bis[5-(4-ethynylbenzoyl)-1H-pyrrol-2-yl]methyl]benzoate Traditional Name: 4-[bis[5-(4-ethynylbenzoyl)-1H-pyrrol-2-yl]methyl]benzoic acid 2-trimethylsilylethyl ester Formula: C39H34N2O4Si MolecularWeight: 622.78376

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Descriptors Computed from Structure

Canonical SMILES:

C[Si](C)(C)CCOC(=O)C1=CC=C(C=C1)C(C2=CC=C(N2)C(=O)C3=CC=C(C=C3)C#C)C4=CC=C(N4)C(=O)C5=CC=C(C=C5)C#C

Isomeric SMILES

C[Si](C)(C)CCOC(=O)C1=CC=C(C=C1)C(C2=CC=C(N2)C(=O)C3=CC=C(C=C3)C#C)C4=CC=C(N4)C(=O)C5=CC=C(C=C5)C#C

InChI

InChI=1S/C39H34N2O4Si/c1-6-26-8-12-29(13-9-26)37(42)34-22-20-32(40-34)36(28-16-18-31(19-17-28)39(44)45-24-25-46(3,4)5)33-21-23-35(41-33)38(43)30-14-10-27(7-2)11-15-30/h1-2,8-23,36,40-41H,24-25H2,3-5H3