prop-2-enyl 4-[10-heptyl-20-(1-methylimidazol-2-yl)-15-(4-oxidanylidene-4-prop-2-enoxy-butyl)-21,24-dihydroporphyrin-5-yl]butanoate

Systemtic Name: prop-2-enyl 4-[10-heptyl-20-(1-methylimidazol-2-yl)-15-(4-oxidanylidene-4-prop-2-enoxy-butyl)-21,24-dihydroporphyrin-5-yl]butanoate Openeye Name: allyl 4-[15-(4-allyloxy-4-oxo-butyl)-10-heptyl-20-(1-methylimidazol-2-yl)-21,24-dihydroporphyrin-5-yl]butanoate CAS Name: 4-[10-heptyl-20-(1-methyl-2-imidazolyl)-15-(4-oxo-4-prop-2-enoxybutyl)-21,24-dihydroporphyrin-5-yl]butanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[10-heptyl-20-(1-methylimidazol-2-yl)-15-(4-oxo-4-prop-2-enoxybutyl)-21,24-dihydroporphyrin-5-yl]butanoate Traditional Name: 4-[15-(4-allyloxy-4-keto-butyl)-10-heptyl-20-(1-methylimidazol-2-yl)-21,24-dihydroporphin-5-yl]butyric acid allyl ester Formula: C45H52N6O4 MolecularWeight: 740.93218

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

Isomeric SMILES

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

InChI

InChI=1S/C45H52N6O4/c1-5-8-9-10-11-14-31-34-19-21-36(47-34)32(15-12-17-42(52)54-29-6-2)38-23-25-40(49-38)44(45-46-27-28-51(45)4)41-26-24-39(50-41)33(37-22-20-35(31)48-37)16-13-18-43(53)55-30-7-3/h6-7,19-28,49-50H,2-3,5,8-18,29-30H2,1,4H3