tert-butyl (2R,3S)-2-bromanyl-3-[[3-(hydroxymethyl)-5,7-dimethoxy-6-methyl-4-phenylmethoxy-indol-1-yl]methyl]aziridine-1-carboxylate

Systemtic Name: tert-butyl (2R,3S)-2-bromanyl-3-[[3-(hydroxymethyl)-5,7-dimethoxy-6-methyl-4-phenylmethoxy-indol-1-yl]methyl]aziridine-1-carboxylate Openeye Name: tert-butyl (2S,3R)-2-[[4-benzyloxy-3-(hydroxymethyl)-5,7-dimethoxy-6-methyl-indol-1-yl]methyl]-3-bromo-aziridine-1-carboxylate CAS Name: (2R,3S)-2-bromo-3-[[3-(hydroxymethyl)-5,7-dimethoxy-6-methyl-4-phenylmethoxy-1-indolyl]methyl]-1-aziridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3S)-2-bromo-3-[[3-(hydroxymethyl)-5,7-dimethoxy-6-methyl-4-phenylmethoxyindol-1-yl]methyl]aziridine-1-carboxylate Traditional Name: (2S,3R)-2-[(4-benzoxy-5,7-dimethoxy-6-methyl-3-methylol-indol-1-yl)methyl]-3-bromo-ethylenimine-1-carboxylic acid tert-butyl ester Formula: C27H33BrN2O6 MolecularWeight: 561.46472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=CN2CC3C(N3C(=O)OC(C)(C)C)Br)CO)C(=C1OC)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C2=C(C(=CN2C[C@H]3[C@H](N3C(=O)OC(C)(C)C)Br)CO)C(=C1OC)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H33BrN2O6/c1-16-22(33-5)21-20(24(23(16)34-6)35-15-17-10-8-7-9-11-17)18(14-31)12-29(21)13-19-25(28)30(19)26(32)36-27(2,3)4/h7-12,19,25,31H,13-15H2,1-6H3/t19-,25-,30?/m0/s1