methyl 3-[7,12,17-tris(3-methoxy-3-oxidanylidene-propyl)-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[7,12,17-tris(3-methoxy-3-oxidanylidene-propyl)-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[7,12,17-tris(3-methoxy-3-oxo-propyl)-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoate CAS Name: 3-[7,12,17-tris(3-methoxy-3-oxopropyl)-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[7,12,17-tris(3-methoxy-3-oxopropyl)-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoate Traditional Name: 3-[7,12,17-tris(3-keto-3-methoxy-propyl)-3,8,13,18-tetramethyl-21,22-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)CCC(=O)OC)C)C(=C4C)CCC(=O)OC)C(=C3C)CCC(=O)OC)CCC(=O)OC

Isomeric SMILES

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CCC(=O)OC)C)C(=C4C)CCC(=O)OC)C(=C3C)CCC(=O)OC)CCC(=O)OC

InChI

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