methyl 3-[7,12,17-tris(3-methoxy-3-oxidanylidene-propyl)-21,24-dihydroporphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[7,12,17-tris(3-methoxy-3-oxidanylidene-propyl)-21,24-dihydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[7,12,17-tris(3-methoxy-3-oxo-propyl)-21,24-dihydroporphyrin-2-yl]propanoate CAS Name: 3-[7,12,17-tris(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[7,12,17-tris(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate Traditional Name: 3-[7,12,17-tris(3-keto-3-methoxy-propyl)-21,24-dihydroporphin-2-yl]propionic acid methyl ester Formula: C36H38N4O8 MolecularWeight: 654.70892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC2=CC3=C(C=C(N3)C=C4C(=CC(=N4)C=C5C(=CC(=N5)C=C1N2)CCC(=O)OC)CCC(=O)OC)CCC(=O)OC

Isomeric SMILES

COC(=O)CCC1=CC2=CC3=C(C=C(N3)C=C4C(=CC(=N4)C=C5C(=CC(=N5)C=C1N2)CCC(=O)OC)CCC(=O)OC)CCC(=O)OC

InChI

InChI=1S/C36H38N4O8/c1-45-33(41)9-5-21-13-25-18-30-23(7-11-35(43)47-3)15-27(39-30)20-32-24(8-12-36(44)48-4)16-28(40-32)19-31-22(6-10-34(42)46-2)14-26(38-31)17-29(21)37-25/h13-20,37-38H,5-12H2,1-4H3