dimethyl 2-(15-bromanyl-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)propanedioate

Systemtic Name: dimethyl 2-(15-bromanyl-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)propanedioate Openeye Name: dimethyl 2-(15-bromo-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)propanedioate CAS Name: 2-(15-bromo-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(15-bromo-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)propanedioate Traditional Name: 2-(15-bromo-10,20-diphenyl-23,24-dihydroporphin-5-yl)malonic acid dimethyl ester Formula: C37H27BrN4O4 MolecularWeight: 671.53868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=CC=C6)Br)N3)C7=CC=CC=C7)C(=O)OC

Isomeric SMILES

COC(=O)C(C1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=CC=C6)Br)N3)C7=CC=CC=C7)C(=O)OC

InChI

InChI=1S/C37H27BrN4O4/c1-45-36(43)34(37(44)46-2)33-27-15-13-23(39-27)31(21-9-5-3-6-10-21)25-17-19-29(41-25)35(38)30-20-18-26(42-30)32(22-11-7-4-8-12-22)24-14-16-28(33)40-24/h3-20,34,41-42H,1-2H3