methyl 4-[15-bromanyl-20-(3-bromanyl-2,4,6-trimethoxy-phenyl)-10-butyl-21,24-dihydroporphyrin-5-yl]benzoate

Systemtic Name: methyl 4-[15-bromanyl-20-(3-bromanyl-2,4,6-trimethoxy-phenyl)-10-butyl-21,24-dihydroporphyrin-5-yl]benzoate Openeye Name: methyl 4-[15-bromo-20-(3-bromo-2,4,6-trimethoxy-phenyl)-10-butyl-21,24-dihydroporphyrin-5-yl]benzoate CAS Name: 4-[15-bromo-20-(3-bromo-2,4,6-trimethoxyphenyl)-10-butyl-21,24-dihydroporphyrin-5-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[15-bromo-20-(3-bromo-2,4,6-trimethoxyphenyl)-10-butyl-21,24-dihydroporphyrin-5-yl]benzoate Traditional Name: 4-[15-bromo-20-(3-bromo-2,4,6-trimethoxy-phenyl)-10-butyl-21,24-dihydroporphin-5-yl]benzoic acid methyl ester Formula: C41H36Br2N4O5 MolecularWeight: 824.55634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)Br)C6=C(C(=C(C=C6OC)OC)Br)OC)N3)C7=CC=C(C=C7)C(=O)OC

Isomeric SMILES

CCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)Br)C6=C(C(=C(C=C6OC)OC)Br)OC)N3)C7=CC=C(C=C7)C(=O)OC

InChI

InChI=1S/C41H36Br2N4O5/c1-6-7-8-24-25-13-15-27(44-25)35(22-9-11-23(12-10-22)41(48)52-5)28-16-17-29(46-28)36(37-33(49-2)21-34(50-3)39(43)40(37)51-4)30-18-20-32(47-30)38(42)31-19-14-26(24)45-31/h9-21,46-47H,6-8H2,1-5H3