methyl 5-[10,15-bis(5-methoxy-5-oxidanylidene-pentyl)-21,24-dihydroporphyrin-5-yl]pentanoate

Systemtic Name: methyl 5-[10,15-bis(5-methoxy-5-oxidanylidene-pentyl)-21,24-dihydroporphyrin-5-yl]pentanoate Openeye Name: methyl 5-[10,15-bis(5-methoxy-5-oxo-pentyl)-21,24-dihydroporphyrin-5-yl]pentanoate CAS Name: 5-[10,15-bis(5-methoxy-5-oxopentyl)-21,24-dihydroporphyrin-5-yl]pentanoic acid methyl ester IUPAC Name: methyl 5-[10,15-bis(5-methoxy-5-oxopentyl)-21,24-dihydroporphyrin-5-yl]pentanoate Traditional Name: 5-[10,15-bis(5-keto-5-methoxy-pentyl)-21,24-dihydroporphin-5-yl]valeric acid methyl ester Formula: C38H44N4O6 MolecularWeight: 652.77916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1=C2C=CC(=CC3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCC(=O)OC)CCCCC(=O)OC)N2

Isomeric SMILES

COC(=O)CCCCC1=C2C=CC(=CC3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCC(=O)OC)CCCCC(=O)OC)N2

InChI

InChI=1S/C38H44N4O6/c1-46-36(43)13-7-4-10-27-30-18-16-25(39-30)24-26-17-19-31(40-26)28(11-5-8-14-37(44)47-2)33-21-23-35(42-33)29(34-22-20-32(27)41-34)12-6-9-15-38(45)48-3/h16-24,39-40H,4-15H2,1-3H3