ethyl 3-[8,13-diethyl-18-[3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-propyl]-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate; iron(2+)

Systemtic Name: ethyl 3-[8,13-diethyl-18-[3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-propyl]-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate; iron(2+) Openeye Name: ferrous ethyl 3-[8,13-diethyl-18-[3-(3-imidazol-1-ylpropylamino)-3-oxo-propyl]-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate CAS Name: 3-[8,13-diethyl-18-[3-[3-(1-imidazolyl)propylamino]-3-oxopropyl]-3,7,12,17-tetramethyl-2-porphyrin-21,24-diidyl]propanoic acid ethyl ester; iron(2+) IUPAC Name: ethyl 3-[8,13-diethyl-18-[3-(3-imidazol-1-ylpropylamino)-3-oxopropyl]-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate; iron(2+) Traditional Name: ferrous 3-[8,13-diethyl-18-[3-(3-imidazol-1-ylpropylamino)-3-keto-propyl]-3,7,12,17-tetramethyl-porphine-21,24-diid-2-yl]propionic acid ethyl ester Formula: C42H49FeN7O3 MolecularWeight: 755.72856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=CC1=N2)[N-]5)C)CCC(=O)NCCCN6C=CN=C6)CCC(=O)OCC)C)C(=C3CC)C)C.[Fe+2]

Isomeric SMILES

CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=CC1=N2)[N-]5)C)CCC(=O)NCCCN6C=CN=C6)CCC(=O)OCC)C)C(=C3CC)C)C.[Fe+2]

InChI

InChI=1S/C42H50N7O3.Fe/c1-8-29-25(4)33-20-34-28(7)32(13-15-42(51)52-10-3)40(47-34)23-39-31(12-14-41(50)44-16-11-18-49-19-17-43-24-49)27(6)36(48-39)22-38-30(9-2)26(5)35(46-38)21-37(29)45-33;/h17,19-24H,8-16,18H2,1-7H3,(H2-,44,45,46,47,48,50);/q-1;+2/p-1