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

Systemtic Name: methyl 3-[20-imidazol-1-yl-10-(3-methanoylphenyl)-15-(3-methoxy-3-oxidanylidene-propyl)-21,24-dihydroporphyrin-5-yl]propanoate Openeye Name: methyl 3-[10-(3-formylphenyl)-20-imidazol-1-yl-15-(3-methoxy-3-oxo-propyl)-21,24-dihydroporphyrin-5-yl]propanoate CAS Name: 3-[10-(3-formylphenyl)-20-(1-imidazolyl)-15-(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-5-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[10-(3-formylphenyl)-20-imidazol-1-yl-15-(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-5-yl]propanoate Traditional Name: 3-[10-(3-formylphenyl)-20-imidazol-1-yl-15-(3-keto-3-methoxy-propyl)-21,24-dihydroporphin-5-yl]propionic acid methyl ester Formula: C38H32N6O5 MolecularWeight: 652.69788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=CC(=CC=C6)C=O)CCC(=O)OC)N7C=CN=C7)N2

Isomeric SMILES

COC(=O)CCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=CC(=CC=C6)C=O)CCC(=O)OC)N7C=CN=C7)N2

InChI

InChI=1S/C38H32N6O5/c1-48-35(46)16-6-25-27-8-12-31(40-27)37(24-5-3-4-23(20-24)21-45)32-13-9-28(41-32)26(7-17-36(47)49-2)30-11-15-34(43-30)38(44-19-18-39-22-44)33-14-10-29(25)42-33/h3-5,8-15,18-22,42-43H,6-7,16-17H2,1-2H3