tert-butyl 5-[[(E)-3-chloranylprop-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-iodanyl-7-phenylmethoxy-indole-1-carboxylate

Systemtic Name: tert-butyl 5-[[(E)-3-chloranylprop-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-iodanyl-7-phenylmethoxy-indole-1-carboxylate Openeye Name: tert-butyl 7-benzyloxy-5-[tert-butoxycarbonyl-[(E)-3-chloroallyl]amino]-4-iodo-indole-1-carboxylate CAS Name: 5-[[(E)-3-chloroprop-2-enyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-iodo-7-phenylmethoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[(E)-3-chloroprop-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-iodo-7-phenylmethoxyindole-1-carboxylate Traditional Name: 7-benzoxy-5-[tert-butoxycarbonyl-[(E)-3-chloroallyl]amino]-4-iodo-indole-1-carboxylic acid tert-butyl ester Formula: C28H32ClIN2O5 MolecularWeight: 638.92155

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC2=C(C(=CC(=C21)OCC3=CC=CC=C3)N(CC=CCl)C(=O)OC(C)(C)C)I

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C(C(=CC(=C21)OCC3=CC=CC=C3)N(C/C=C/Cl)C(=O)OC(C)(C)C)I

InChI

InChI=1S/C28H32ClIN2O5/c1-27(2,3)36-25(33)31(15-10-14-29)21-17-22(35-18-19-11-8-7-9-12-19)24-20(23(21)30)13-16-32(24)26(34)37-28(4,5)6/h7-14,16-17H,15,18H2,1-6H3/b14-10+