methyl 3-[15-(3-methoxy-3-oxidanylidene-propyl)-21,22-dihydroporphyrin-5-yl]propanoate

Systemtic Name: methyl 3-[15-(3-methoxy-3-oxidanylidene-propyl)-21,22-dihydroporphyrin-5-yl]propanoate Openeye Name: methyl 3-[15-(3-methoxy-3-oxo-propyl)-21,22-dihydroporphyrin-5-yl]propanoate CAS Name: 3-[15-(3-methoxy-3-oxopropyl)-21,22-dihydroporphyrin-5-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[15-(3-methoxy-3-oxopropyl)-21,22-dihydroporphyrin-5-yl]propanoate Traditional Name: 3-[15-(3-keto-3-methoxy-propyl)-21,22-dihydroporphin-5-yl]propionic acid methyl ester Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C2C=CC(=CC3=NC(=C(C4=NC(=CC5=CC=C1N5)C=C4)CCC(=O)OC)C=C3)N2

Isomeric SMILES

COC(=O)CCC1=C2C=CC(=CC3=NC(=C(C4=NC(=CC5=CC=C1N5)C=C4)CCC(=O)OC)C=C3)N2

InChI

InChI=1S/C28H26N4O4/c1-35-27(33)13-7-21-23-9-3-17(29-23)15-19-5-11-25(31-19)22(8-14-28(34)36-2)26-12-6-20(32-26)16-18-4-10-24(21)30-18/h3-6,9-12,15-16,29-30H,7-8,13-14H2,1-2H3