methyl 1-[[(2S,3R)-3-bromanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridin-2-yl]methyl]-4-phenylmethoxy-indole-6-carboxylate

Systemtic Name: methyl 1-[[(2S,3R)-3-bromanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridin-2-yl]methyl]-4-phenylmethoxy-indole-6-carboxylate Openeye Name: methyl 4-benzyloxy-1-[[(2S,3R)-3-bromo-1-tert-butoxycarbonyl-aziridin-2-yl]methyl]indole-6-carboxylate CAS Name: 1-[[(2S,3R)-3-bromo-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-aziridinyl]methyl]-4-phenylmethoxy-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[[(2S,3R)-3-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridin-2-yl]methyl]-4-phenylmethoxyindole-6-carboxylate Traditional Name: 4-benzoxy-1-[[(2S,3R)-3-bromo-1-tert-butoxycarbonyl-ethylenimin-2-yl]methyl]indole-6-carboxylic acid methyl ester Formula: C25H27BrN2O5 MolecularWeight: 515.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C1Br)CN2C=CC3=C2C=C(C=C3OCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H]([C@H]1Br)CN2C=CC3=C2C=C(C=C3OCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H27BrN2O5/c1-25(2,3)33-24(30)28-20(22(28)26)14-27-11-10-18-19(27)12-17(23(29)31-4)13-21(18)32-15-16-8-6-5-7-9-16/h5-13,20,22H,14-15H2,1-4H3/t20-,22-,28?/m0/s1