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

Systemtic Name: prop-2-enyl 3-[10-heptyl-20-(1-methylimidazol-2-yl)-15-(3-oxidanylidene-3-prop-2-enoxy-propyl)-21,24-dihydroporphyrin-5-yl]propanoate Openeye Name: allyl 3-[15-(3-allyloxy-3-oxo-propyl)-10-heptyl-20-(1-methylimidazol-2-yl)-21,24-dihydroporphyrin-5-yl]propanoate CAS Name: 3-[10-heptyl-20-(1-methyl-2-imidazolyl)-15-(3-oxo-3-prop-2-enoxypropyl)-21,24-dihydroporphyrin-5-yl]propanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-[10-heptyl-20-(1-methylimidazol-2-yl)-15-(3-oxo-3-prop-2-enoxypropyl)-21,24-dihydroporphyrin-5-yl]propanoate Traditional Name: 3-[15-(3-allyloxy-3-keto-propyl)-10-heptyl-20-(1-methylimidazol-2-yl)-21,24-dihydroporphin-5-yl]propionic acid allyl ester Formula: C43H48N6O4 MolecularWeight: 712.87902

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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)OCC=C)C6=NC=CN6C)N3)CCC(=O)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C43H48N6O4/c1-5-8-9-10-11-12-29-32-15-17-34(45-32)30(13-23-40(50)52-27-6-2)36-19-21-38(47-36)42(43-44-25-26-49(43)4)39-22-20-37(48-39)31(35-18-16-33(29)46-35)14-24-41(51)53-28-7-3/h6-7,15-22,25-26,47-48H,2-3,5,8-14,23-24,27-28H2,1,4H3