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

Systemtic Name: methyl 1-[[(2S,3R)-3-bromanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridin-2-yl]methyl]-3-methanoyl-4-phenylmethoxy-indole-6-carboxylate Openeye Name: methyl 4-benzyloxy-1-[[(2S,3R)-3-bromo-1-tert-butoxycarbonyl-aziridin-2-yl]methyl]-3-formyl-indole-6-carboxylate CAS Name: 1-[[(2S,3R)-3-bromo-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-aziridinyl]methyl]-3-formyl-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]-3-formyl-4-phenylmethoxyindole-6-carboxylate Traditional Name: 4-benzoxy-1-[[(2S,3R)-3-bromo-1-tert-butoxycarbonyl-ethylenimin-2-yl]methyl]-3-formyl-indole-6-carboxylic acid methyl ester Formula: C26H27BrN2O6 MolecularWeight: 543.40638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C1Br)CN2C=C(C3=C2C=C(C=C3OCC4=CC=CC=C4)C(=O)OC)C=O

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H]([C@H]1Br)CN2C=C(C3=C2C=C(C=C3OCC4=CC=CC=C4)C(=O)OC)C=O

InChI

InChI=1S/C26H27BrN2O6/c1-26(2,3)35-25(32)29-20(23(29)27)13-28-12-18(14-30)22-19(28)10-17(24(31)33-4)11-21(22)34-15-16-8-6-5-7-9-16/h5-12,14,20,23H,13,15H2,1-4H3/t20-,23-,29?/m0/s1