tert-butyl 4-iodanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenylmethoxy-indole-1-carboxylate

Systemtic Name: tert-butyl 4-iodanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenylmethoxy-indole-1-carboxylate Openeye Name: tert-butyl 7-benzyloxy-5-(tert-butoxycarbonylamino)-4-iodo-indole-1-carboxylate CAS Name: 4-iodo-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-phenylmethoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenylmethoxyindole-1-carboxylate Traditional Name: 7-benzoxy-5-(tert-butoxycarbonylamino)-4-iodo-indole-1-carboxylic acid tert-butyl ester Formula: C25H29IN2O5 MolecularWeight: 564.41263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC(=C2C(=C1I)C=CN2C(=O)OC(C)(C)C)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC(=C2C(=C1I)C=CN2C(=O)OC(C)(C)C)OCC3=CC=CC=C3

InChI

InChI=1S/C25H29IN2O5/c1-24(2,3)32-22(29)27-18-14-19(31-15-16-10-8-7-9-11-16)21-17(20(18)26)12-13-28(21)23(30)33-25(4,5)6/h7-14H,15H2,1-6H3,(H,27,29)