[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl] 2-methylbutanoate

Systemtic Name: [4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl] 2-methylbutanoate Openeye Name: [4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl] ester IUPAC Name: [4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)phenyl] ester Formula: C49H38N4O2 MolecularWeight: 714.85162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)N4)C9=CC=CC=C9

Isomeric SMILES

CCC(C)C(=O)OC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)N4)C9=CC=CC=C9

InChI

InChI=1S/C49H38N4O2/c1-3-31(2)49(54)55-36-21-19-35(20-22-36)48-43-29-27-41(52-43)46(33-15-9-5-10-16-33)39-25-23-37(50-39)45(32-13-7-4-8-14-32)38-24-26-40(51-38)47(34-17-11-6-12-18-34)42-28-30-44(48)53-42/h4-31,50-51H,3H2,1-2H3