methyl (2S)-1-[(10-bromanyl-2,3,6,7-tetramethoxy-phenanthren-9-yl)methyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(10-bromanyl-2,3,6,7-tetramethoxy-phenanthren-9-yl)methyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(10-bromo-2,3,6,7-tetramethoxy-9-phenanthryl)methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(10-bromo-2,3,6,7-tetramethoxy-9-phenanthrenyl)methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(10-bromo-2,3,6,7-tetramethoxyphenanthren-9-yl)methyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(10-bromo-2,3,6,7-tetramethoxy-9-phenanthryl)methyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C25H28BrNO6 MolecularWeight: 518.39692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=CC(=C(C=C3C(=C2CN4CCCC4C(=O)OC)Br)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=CC(=C(C=C3C(=C2CN4CCC[C@H]4C(=O)OC)Br)OC)OC)OC

InChI

InChI=1S/C25H28BrNO6/c1-29-20-9-14-15-10-21(30-2)23(32-4)12-17(15)24(26)18(16(14)11-22(20)31-3)13-27-8-6-7-19(27)25(28)33-5/h9-12,19H,6-8,13H2,1-5H3/t19-/m0/s1