methyl 3-[10-heptyl-15-(3-methoxy-3-oxidanylidene-propyl)-20-(1-methylimidazol-2-yl)-21,24-dihydroporphyrin-5-yl]propanoate

Systemtic Name: methyl 3-[10-heptyl-15-(3-methoxy-3-oxidanylidene-propyl)-20-(1-methylimidazol-2-yl)-21,24-dihydroporphyrin-5-yl]propanoate Openeye Name: methyl 3-[10-heptyl-15-(3-methoxy-3-oxo-propyl)-20-(1-methylimidazol-2-yl)-21,24-dihydroporphyrin-5-yl]propanoate CAS Name: 3-[10-heptyl-15-(3-methoxy-3-oxopropyl)-20-(1-methyl-2-imidazolyl)-21,24-dihydroporphyrin-5-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[10-heptyl-15-(3-methoxy-3-oxopropyl)-20-(1-methylimidazol-2-yl)-21,24-dihydroporphyrin-5-yl]propanoate Traditional Name: 3-[10-heptyl-15-(3-keto-3-methoxy-propyl)-20-(1-methylimidazol-2-yl)-21,24-dihydroporphin-5-yl]propionic acid methyl ester Formula: C39H44N6O4 MolecularWeight: 660.80446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)CCC(=O)OC)C6=NC=CN6C)N3)CCC(=O)OC

Isomeric SMILES

CCCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)CCC(=O)OC)C6=NC=CN6C)N3)CCC(=O)OC

InChI

InChI=1S/C39H44N6O4/c1-5-6-7-8-9-10-25-28-13-15-30(41-28)26(11-21-36(46)48-3)32-17-19-34(43-32)38(39-40-23-24-45(39)2)35-20-18-33(44-35)27(12-22-37(47)49-4)31-16-14-29(25)42-31/h13-20,23-24,43-44H,5-12,21-22H2,1-4H3