methyl 3-(8-bromanyl-13,18-diethyl-3,7,12,17-tetramethyl-22,24-dihydroporphyrin-2-yl)propanoate

Systemtic Name: methyl 3-(8-bromanyl-13,18-diethyl-3,7,12,17-tetramethyl-22,24-dihydroporphyrin-2-yl)propanoate Openeye Name: methyl 3-(8-bromo-13,18-diethyl-3,7,12,17-tetramethyl-22,24-dihydroporphyrin-2-yl)propanoate CAS Name: 3-(8-bromo-13,18-diethyl-3,7,12,17-tetramethyl-22,24-dihydroporphyrin-2-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(8-bromo-13,18-diethyl-3,7,12,17-tetramethyl-22,24-dihydroporphyrin-2-yl)propanoate Traditional Name: 3-(8-bromo-13,18-diethyl-3,7,12,17-tetramethyl-22,24-dihydroporphin-2-yl)propionic acid methyl ester Formula: C32H35BrN4O2 MolecularWeight: 587.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1N2)CCC(=O)OC)C)C)Br)C(=C3CC)C)C

Isomeric SMILES

CCC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1N2)CCC(=O)OC)C)C)Br)C(=C3CC)C)C

InChI

InChI=1S/C32H35BrN4O2/c1-8-20-17(4)25-14-30-32(33)19(6)26(37-30)12-23-18(5)22(10-11-31(38)39-7)29(36-23)15-28-21(9-2)16(3)24(34-28)13-27(20)35-25/h12-15,34,37H,8-11H2,1-7H3