ethyl 5-[4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenoxy]pentanoate

Systemtic Name: ethyl 5-[4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenoxy]pentanoate Openeye Name: ethyl 5-[4-[10,15,20-tris(4-pyridyl)-21,22-dihydroporphyrin-5-yl]phenoxy]pentanoate CAS Name: 5-[4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenoxy]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenoxy]pentanoate Traditional Name: 5-[4-[10,15,20-tris(4-pyridyl)-21,22-dihydroporphin-5-yl]phenoxy]valeric acid ethyl ester Formula: C48H39N7O3 MolecularWeight: 761.86836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCOC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=NC=C8)C=C4)C9=CC=NC=C9)N3

Isomeric SMILES

CCOC(=O)CCCCOC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=NC=C8)C=C4)C9=CC=NC=C9)N3

InChI

InChI=1S/C48H39N7O3/c1-2-57-44(56)5-3-4-30-58-35-8-6-31(7-9-35)45-36-10-12-38(52-36)46(32-18-24-49-25-19-32)40-14-16-42(54-40)48(34-22-28-51-29-23-34)43-17-15-41(55-43)47(33-20-26-50-27-21-33)39-13-11-37(45)53-39/h6-29,52-53H,2-5,30H2,1H3