methyl 3-[8,12,18-tris(3-methoxy-3-oxidanylidene-propyl)-3,7,13,17-tetramethyl-17,18-bis(oxidanyl)-21,23-dihydroporphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[8,12,18-tris(3-methoxy-3-oxidanylidene-propyl)-3,7,13,17-tetramethyl-17,18-bis(oxidanyl)-21,23-dihydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[17,18-dihydroxy-8,12,18-tris(3-methoxy-3-oxo-propyl)-3,7,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate CAS Name: 3-[17,18-dihydroxy-8,12,18-tris(3-methoxy-3-oxopropyl)-3,7,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[17,18-dihydroxy-8,12,18-tris(3-methoxy-3-oxopropyl)-3,7,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate Traditional Name: 3-[17,18-dihydroxy-8,12,18-tris(3-keto-3-methoxy-propyl)-3,7,13,17-tetramethyl-21,23-dihydroporphin-2-yl]propionic acid methyl ester Formula: C40H48N4O10 MolecularWeight: 744.82992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)C(C3(CCC(=O)OC)O)(C)O)CCC(=O)OC

Isomeric SMILES

CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)C(C3(CCC(=O)OC)O)(C)O)CCC(=O)OC

InChI

InChI=1S/C40H48N4O10/c1-21-24(9-12-35(45)51-5)30-18-31-25(10-13-36(46)52-6)23(3)29(43-31)19-33-39(4,49)40(50,16-15-38(48)54-8)34(44-33)20-32-26(11-14-37(47)53-7)22(2)28(42-32)17-27(21)41-30/h17-20,42-43,49-50H,9-16H2,1-8H3