methyl 3-[20-imidazol-1-yl-15-(3-methoxy-3-oxidanylidene-propyl)-10-(2-trimethylsilylethynyl)-21,24-dihydroporphyrin-5-yl]propanoate

Systemtic Name: methyl 3-[20-imidazol-1-yl-15-(3-methoxy-3-oxidanylidene-propyl)-10-(2-trimethylsilylethynyl)-21,24-dihydroporphyrin-5-yl]propanoate Openeye Name: methyl 3-[20-imidazol-1-yl-15-(3-methoxy-3-oxo-propyl)-10-(2-trimethylsilylethynyl)-21,24-dihydroporphyrin-5-yl]propanoate CAS Name: 3-[20-(1-imidazolyl)-15-(3-methoxy-3-oxopropyl)-10-(2-trimethylsilylethynyl)-21,24-dihydroporphyrin-5-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[20-imidazol-1-yl-15-(3-methoxy-3-oxopropyl)-10-(2-trimethylsilylethynyl)-21,24-dihydroporphyrin-5-yl]propanoate Traditional Name: 3-[20-imidazol-1-yl-15-(3-keto-3-methoxy-propyl)-10-(2-trimethylsilylethynyl)-21,24-dihydroporphin-5-yl]propionic acid methyl ester Formula: C36H36N6O4Si MolecularWeight: 644.79434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C#C[Si](C)(C)C)CCC(=O)OC)N6C=CN=C6)N2

Isomeric SMILES

COC(=O)CCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C#C[Si](C)(C)C)CCC(=O)OC)N6C=CN=C6)N2

InChI

InChI=1S/C36H36N6O4Si/c1-45-34(43)16-6-23-26-8-10-30(38-26)25(18-21-47(3,4)5)31-11-9-27(39-31)24(7-17-35(44)46-2)29-13-15-33(41-29)36(42-20-19-37-22-42)32-14-12-28(23)40-32/h8-15,19-20,22,40-41H,6-7,16-17H2,1-5H3