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

Systemtic Name: methyl 5-[10-heptyl-15-(5-methoxy-5-oxidanylidene-pentyl)-20-(1-methylimidazol-2-yl)-21,24-dihydroporphyrin-5-yl]pentanoate Openeye Name: methyl 5-[10-heptyl-15-(5-methoxy-5-oxo-pentyl)-20-(1-methylimidazol-2-yl)-21,24-dihydroporphyrin-5-yl]pentanoate CAS Name: 5-[10-heptyl-15-(5-methoxy-5-oxopentyl)-20-(1-methyl-2-imidazolyl)-21,24-dihydroporphyrin-5-yl]pentanoic acid methyl ester IUPAC Name: methyl 5-[10-heptyl-15-(5-methoxy-5-oxopentyl)-20-(1-methylimidazol-2-yl)-21,24-dihydroporphyrin-5-yl]pentanoate Traditional Name: 5-[10-heptyl-15-(5-keto-5-methoxy-pentyl)-20-(1-methylimidazol-2-yl)-21,24-dihydroporphin-5-yl]valeric acid methyl ester Formula: C43H52N6O4 MolecularWeight: 716.91078

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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)CCCCC(=O)OC)C6=NC=CN6C)N3)CCCCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C43H52N6O4/c1-5-6-7-8-9-14-29-32-19-21-34(45-32)30(15-10-12-17-40(50)52-3)36-23-25-38(47-36)42(43-44-27-28-49(43)2)39-26-24-37(48-39)31(35-22-20-33(29)46-35)16-11-13-18-41(51)53-4/h19-28,47-48H,5-18H2,1-4H3