methyl 3-[8,13-bis(1-acetyloxyethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[8,13-bis(1-acetyloxyethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[8,13-bis(1-acetoxyethyl)-18-(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate CAS Name: 3-[8,13-bis(1-acetyloxyethyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[8,13-bis(1-acetyloxyethyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate Traditional Name: 3-[8,13-bis(1-acetoxyethyl)-18-(3-keto-3-methoxy-propyl)-3,7,12,17-tetramethyl-22,23-dihydroporphin-2-yl]propionic acid methyl ester Formula: C40H46N4O8 MolecularWeight: 710.81524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)OC(=O)C)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C(C)OC(=O)C

Isomeric SMILES

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)OC(=O)C)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C(C)OC(=O)C

InChI

InChI=1S/C40H46N4O8/c1-19-27(11-13-37(47)49-9)33-18-34-28(12-14-38(48)50-10)20(2)30(42-34)16-35-40(24(6)52-26(8)46)22(4)32(44-35)17-36-39(23(5)51-25(7)45)21(3)31(43-36)15-29(19)41-33/h15-18,23-24,43-44H,11-14H2,1-10H3