prop-2-enyl 3-[10-(1-methylimidazol-2-yl)-15-(3-oxidanylidene-3-prop-2-enoxy-propyl)-20-phenyl-21,24-dihydroporphyrin-5-yl]propanoate

Systemtic Name: prop-2-enyl 3-[10-(1-methylimidazol-2-yl)-15-(3-oxidanylidene-3-prop-2-enoxy-propyl)-20-phenyl-21,24-dihydroporphyrin-5-yl]propanoate Openeye Name: allyl 3-[15-(3-allyloxy-3-oxo-propyl)-10-(1-methylimidazol-2-yl)-20-phenyl-21,24-dihydroporphyrin-5-yl]propanoate CAS Name: 3-[10-(1-methyl-2-imidazolyl)-15-(3-oxo-3-prop-2-enoxypropyl)-20-phenyl-21,24-dihydroporphyrin-5-yl]propanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-[10-(1-methylimidazol-2-yl)-15-(3-oxo-3-prop-2-enoxypropyl)-20-phenyl-21,24-dihydroporphyrin-5-yl]propanoate Traditional Name: 3-[15-(3-allyloxy-3-keto-propyl)-10-(1-methylimidazol-2-yl)-20-phenyl-21,24-dihydroporphin-5-yl]propionic acid allyl ester Formula: C42H38N6O4 MolecularWeight: 690.78892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)CCC(=O)OCC=C)C7=CC=CC=C7)N4)CCC(=O)OCC=C

Isomeric SMILES

CN1C=CN=C1C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)CCC(=O)OCC=C)C7=CC=CC=C7)N4)CCC(=O)OCC=C

InChI

InChI=1S/C42H38N6O4/c1-4-25-51-38(49)21-11-28-30-13-17-34(44-30)40(27-9-7-6-8-10-27)35-18-14-31(45-35)29(12-22-39(50)52-26-5-2)33-16-20-37(47-33)41(36-19-15-32(28)46-36)42-43-23-24-48(42)3/h4-10,13-20,23-24,44-45H,1-2,11-12,21-22,25-26H2,3H3