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

Systemtic Name: tert-butyl (2R,3S)-2-bromanyl-3-[(3-methanoyl-5,7-dimethoxy-6-methyl-4-phenylmethoxy-indol-1-yl)methyl]aziridine-1-carboxylate Openeye Name: tert-butyl (2S,3R)-2-[(4-benzyloxy-3-formyl-5,7-dimethoxy-6-methyl-indol-1-yl)methyl]-3-bromo-aziridine-1-carboxylate CAS Name: (2R,3S)-2-bromo-3-[(3-formyl-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-formyl-5,7-dimethoxy-6-methyl-4-phenylmethoxyindol-1-yl)methyl]aziridine-1-carboxylate Traditional Name: (2S,3R)-2-[(4-benzoxy-3-formyl-5,7-dimethoxy-6-methyl-indol-1-yl)methyl]-3-bromo-ethylenimine-1-carboxylic acid tert-butyl ester Formula: C27H31BrN2O6 MolecularWeight: 559.44884

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H31BrN2O6/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/h7-12,14,19,25H,13,15H2,1-6H3/t19-,25-,30?/m0/s1