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

Systemtic Name: methyl 3-[7-[2,2-bis(fluoranyl)ethenyl]-12-ethenyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[7-(2,2-difluorovinyl)-18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-12-vinyl-22,23-dihydroporphyrin-2-yl]propanoate CAS Name: 3-[7-(2,2-difluoroethenyl)-12-ethenyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[7-(2,2-difluoroethenyl)-12-ethenyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate Traditional Name: 3-[7-(2,2-difluorovinyl)-18-(3-keto-3-methoxy-propyl)-3,8,13,17-tetramethyl-12-vinyl-22,23-dihydroporphin-2-yl]propionic acid methyl ester Formula: C36H36F2N4O4 MolecularWeight: 626.692246

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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

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

InChI

InChI=1S/C36H36F2N4O4/c1-8-22-18(2)26-14-27-19(3)23(9-11-35(43)45-6)31(40-27)17-32-24(10-12-36(44)46-7)20(4)28(41-32)16-33-25(13-34(37)38)21(5)29(42-33)15-30(22)39-26/h8,13-17,39,42H,1,9-12H2,2-7H3