[4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenyl] propanoate

Systemtic Name: [4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenyl] propanoate Openeye Name: [4-[10,15,20-tris(4-pyridyl)-21,22-dihydroporphyrin-5-yl]phenyl] propanoate CAS Name: propanoic acid [4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenyl] ester IUPAC Name: [4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenyl] propanoate Traditional Name: propionic acid [4-[10,15,20-tris(4-pyridyl)-21,22-dihydroporphin-5-yl]phenyl] ester Formula: C44H31N7O2 MolecularWeight: 689.76264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=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

CCC(=O)OC1=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/C44H31N7O2/c1-2-40(52)53-31-5-3-27(4-6-31)41-32-7-9-34(48-32)42(28-15-21-45-22-16-28)36-11-13-38(50-36)44(30-19-25-47-26-20-30)39-14-12-37(51-39)43(29-17-23-46-24-18-29)35-10-8-33(41)49-35/h3-26,48-49H,2H2,1H3