methyl 3-[10-(3,5-dimethoxyphenyl)-7,12-diethyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,12,17-tetramethyl-13-oxidanylidene-21,24-dihydroporphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[10-(3,5-dimethoxyphenyl)-7,12-diethyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,12,17-tetramethyl-13-oxidanylidene-21,24-dihydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[10-(3,5-dimethoxyphenyl)-7,12-diethyl-18-(3-methoxy-3-oxo-propyl)-3,8,12,17-tetramethyl-13-oxo-21,24-dihydroporphyrin-2-yl]propanoate CAS Name: 3-[10-(3,5-dimethoxyphenyl)-7,12-diethyl-18-(3-methoxy-3-oxopropyl)-3,8,12,17-tetramethyl-13-oxo-21,24-dihydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[10-(3,5-dimethoxyphenyl)-7,12-diethyl-18-(3-methoxy-3-oxopropyl)-3,8,12,17-tetramethyl-13-oxo-21,24-dihydroporphyrin-2-yl]propanoate Traditional Name: 3-[10-(3,5-dimethoxyphenyl)-7,12-diethyl-13-keto-18-(3-keto-3-methoxy-propyl)-3,8,12,17-tetramethyl-21,24-dihydroporphin-2-yl]propionic acid methyl ester Formula: C44H50N4O7 MolecularWeight: 746.8904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=CC1=N2)N5)C)CCC(=O)OC)CCC(=O)OC)C)C(=O)C3(C)CC)C6=CC(=CC(=C6)OC)OC)C

Isomeric SMILES

CCC1=C(C2=C(C3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=CC1=N2)N5)C)CCC(=O)OC)CCC(=O)OC)C)C(=O)C3(C)CC)C6=CC(=CC(=C6)OC)OC)C

InChI

InChI=1S/C44H50N4O7/c1-11-29-25(5)41-40(26-17-27(52-7)19-28(18-26)53-8)42-44(6,12-2)43(51)37(48-42)21-33-24(4)31(14-16-39(50)55-10)36(46-33)22-35-30(13-15-38(49)54-9)23(3)32(45-35)20-34(29)47-41/h17-22,45-46H,11-16H2,1-10H3