methyl 3-[8,13-bis[2,2-bis(fluoranyl)ethenyl]-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[8,13-bis[2,2-bis(fluoranyl)ethenyl]-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[8,13-bis(2,2-difluorovinyl)-18-(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate CAS Name: 3-[8,13-bis(2,2-difluoroethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[8,13-bis(2,2-difluoroethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate Traditional Name: 3-[8,13-bis(2,2-difluorovinyl)-18-(3-keto-3-methoxy-propyl)-3,7,12,17-tetramethyl-22,23-dihydroporphin-2-yl]propionic acid methyl ester Formula: C36H34F4N4O4 MolecularWeight: 662.673173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)C=C(F)F)C)C=C(F)F

Isomeric SMILES

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)C=C(F)F)C)C=C(F)F

InChI

InChI=1S/C36H34F4N4O4/c1-17-21(7-9-35(45)47-5)29-16-30-22(8-10-36(46)48-6)18(2)27(42-30)14-31-24(12-34(39)40)20(4)28(44-31)15-32-23(11-33(37)38)19(3)26(43-32)13-25(17)41-29/h11-16,43-44H,7-10H2,1-6H3