methyl 3-[8,13,18-tris(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[8,13,18-tris(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[8,13,18-tris(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate CAS Name: 3-[8,13,18-tris(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[8,13,18-tris(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate Traditional Name: 3-[8,13,18-tris(3-keto-3-methoxy-propyl)-3,7,12,17-tetramethyl-21,24-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=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)C)CCC(=O)OC)C)CCC(=O)OC)CCC(=O)OC

Isomeric SMILES

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)C)CCC(=O)OC)C)CCC(=O)OC)CCC(=O)OC

InChI

InChI=1S/C40H46N4O8/c1-21-25(9-13-37(45)49-5)33-18-31-23(3)26(10-14-38(46)50-6)34(43-31)19-32-24(4)28(12-16-40(48)52-8)36(44-32)20-35-27(11-15-39(47)51-7)22(2)30(42-35)17-29(21)41-33/h17-20,42,44H,9-16H2,1-8H3