ethyl 2-[4-[15-(1,3-diethylimidazol-2-ylidene)-21H-porphyrin-5-yl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-[15-(1,3-diethylimidazol-2-ylidene)-21H-porphyrin-5-yl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-[15-(1,3-diethylimidazol-2-ylidene)-21H-porphyrin-5-yl]phenoxy]acetate CAS Name: 2-[4-[15-(1,3-diethyl-2-imidazolylidene)-21H-porphyrin-5-yl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[15-(1,3-diethylimidazol-2-ylidene)-21H-porphyrin-5-yl]phenoxy]acetate Traditional Name: 2-[4-[15-(1,3-diethyl-4-imidazolin-2-ylidene)-21H-porphin-5-yl]phenoxy]acetic acid ethyl ester Formula: C37H34N6O3 MolecularWeight: 610.70426

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN(C1=C2C3=NC(=CC4=NC(=C(C5=CC=C(N5)C=C6C=CC2=N6)C7=CC=C(C=C7)OCC(=O)OCC)C=C4)C=C3)CC

Isomeric SMILES

CCN1C=CN(C1=C2C3=NC(=CC4=NC(=C(C5=CC=C(N5)C=C6C=CC2=N6)C7=CC=C(C=C7)OCC(=O)OCC)C=C4)C=C3)CC

InChI

InChI=1S/C37H34N6O3/c1-4-42-19-20-43(5-2)37(42)36-32-17-11-27(40-32)21-25-9-15-30(38-25)35(24-7-13-29(14-8-24)46-23-34(44)45-6-3)31-16-10-26(39-31)22-28-12-18-33(36)41-28/h7-22,38H,4-6,23H2,1-3H3