3-(dimethylamino)propyl 4-[10,15,20-tris[4-[3-(dimethylamino)propoxycarbonyl]phenyl]-21,24-dihydroporphyrin-5-yl]benzoate

Systemtic Name: 3-(dimethylamino)propyl 4-[10,15,20-tris[4-[3-(dimethylamino)propoxycarbonyl]phenyl]-21,24-dihydroporphyrin-5-yl]benzoate Openeye Name: 3-(dimethylamino)propyl 4-[10,15,20-tris[4-[3-(dimethylamino)propoxycarbonyl]phenyl]-21,24-dihydroporphyrin-5-yl]benzoate CAS Name: 4-[10,15,20-tris[4-[3-(dimethylamino)propoxy-oxomethyl]phenyl]-21,24-dihydroporphyrin-5-yl]benzoic acid 3-(dimethylamino)propyl ester IUPAC Name: 3-(dimethylamino)propyl 4-[10,15,20-tris[4-[3-(dimethylamino)propoxycarbonyl]phenyl]-21,24-dihydroporphyrin-5-yl]benzoate Traditional Name: 4-[10,15,20-tris[4-[3-(dimethylamino)propoxycarbonyl]phenyl]-21,24-dihydroporphin-5-yl]benzoic acid 3-(dimethylamino)propyl ester Formula: C68H74N8O8 MolecularWeight: 1131.36396

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)OCCCN(C)C)C8=CC=C(C=C8)C(=O)OCCCN(C)C)C9=CC=C(C=C9)C(=O)OCCCN(C)C)N3

Isomeric SMILES

CN(C)CCCOC(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)OCCCN(C)C)C8=CC=C(C=C8)C(=O)OCCCN(C)C)C9=CC=C(C=C9)C(=O)OCCCN(C)C)N3

InChI

InChI=1S/C68H74N8O8/c1-73(2)37-9-41-81-65(77)49-21-13-45(14-22-49)61-53-29-31-55(69-53)62(46-15-23-50(24-16-46)66(78)82-42-10-38-74(3)4)57-33-35-59(71-57)64(48-19-27-52(28-20-48)68(80)84-44-12-40-76(7)8)60-36-34-58(72-60)63(56-32-30-54(61)70-56)47-17-25-51(26-18-47)67(79)83-43-11-39-75(5)6/h13-36,69-70H,9-12,37-44H2,1-8H3