3-pyridin-3-ylpropyl 3-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)propanoate

Systemtic Name: 3-pyridin-3-ylpropyl 3-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)propanoate Openeye Name: 3-(3-pyridyl)propyl 3-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)propanoate CAS Name: 3-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)propanoic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 3-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)propanoate Traditional Name: 3-(5,10,15,20-tetraphenyl-21,22-dihydroporphin-2-yl)propionic acid 3-(3-pyridyl)propyl ester Formula: C55H43N5O2 MolecularWeight: 805.96222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)CCC(=O)OCCCC9=CN=CC=C9)C1=CC=CC=C1)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)CCC(=O)OCCCC9=CN=CC=C9)C1=CC=CC=C1)N3

InChI

InChI=1S/C55H43N5O2/c61-50(62-34-14-16-37-15-13-33-56-36-37)32-25-42-35-49-53(40-21-9-3-10-22-40)47-29-28-45(58-47)51(38-17-5-1-6-18-38)43-26-27-44(57-43)52(39-19-7-2-8-20-39)46-30-31-48(59-46)54(55(42)60-49)41-23-11-4-12-24-41/h1-13,15,17-24,26-31,33,35-36,58,60H,14,16,25,32,34H2