methyl 4-[10-butyl-20-(2,4,6-trimethoxyphenyl)-23,24-dihydroporphyrin-5-yl]benzoate

Systemtic Name: methyl 4-[10-butyl-20-(2,4,6-trimethoxyphenyl)-23,24-dihydroporphyrin-5-yl]benzoate Openeye Name: methyl 4-[10-butyl-20-(2,4,6-trimethoxyphenyl)-23,24-dihydroporphyrin-5-yl]benzoate CAS Name: 4-[10-butyl-20-(2,4,6-trimethoxyphenyl)-23,24-dihydroporphyrin-5-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[10-butyl-20-(2,4,6-trimethoxyphenyl)-23,24-dihydroporphyrin-5-yl]benzoate Traditional Name: 4-[10-butyl-20-(2,4,6-trimethoxyphenyl)-23,24-dihydroporphin-5-yl]benzoic acid methyl ester Formula: C41H38N4O5 MolecularWeight: 666.76422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=N2)C(=C3C=CC(=N3)C(=C4C=CC(=CC5=CC=C1N5)N4)C6=C(C=C(C=C6OC)OC)OC)C7=CC=C(C=C7)C(=O)OC

Isomeric SMILES

CCCCC1=C2C=CC(=N2)C(=C3C=CC(=N3)C(=C4C=CC(=CC5=CC=C1N5)N4)C6=C(C=C(C=C6OC)OC)OC)C7=CC=C(C=C7)C(=O)OC

InChI

InChI=1S/C41H38N4O5/c1-6-7-8-29-30-15-13-26(42-30)21-27-14-16-34(43-27)39(40-36(48-3)22-28(47-2)23-37(40)49-4)35-20-19-33(45-35)38(32-18-17-31(29)44-32)24-9-11-25(12-10-24)41(46)50-5/h9-23,42-43H,6-8H2,1-5H3