tert-butyl 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]-3-iodanyl-indole-1-carboxylate

Systemtic Name: tert-butyl 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]-3-iodanyl-indole-1-carboxylate Openeye Name: tert-butyl 2-[but-3-enyl(tert-butoxycarbonyl)carbamoyl]-3-iodo-indole-1-carboxylate CAS Name: 2-[[but-3-enyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-oxomethyl]-3-iodo-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]-3-iodoindole-1-carboxylate Traditional Name: 2-[but-3-enyl(tert-butoxycarbonyl)carbamoyl]-3-iodo-indole-1-carboxylic acid tert-butyl ester Formula: C23H29IN2O5 MolecularWeight: 540.39123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1C(=O)N(CCC=C)C(=O)OC(C)(C)C)I

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1C(=O)N(CCC=C)C(=O)OC(C)(C)C)I

InChI

InChI=1S/C23H29IN2O5/c1-8-9-14-25(20(28)30-22(2,3)4)19(27)18-17(24)15-12-10-11-13-16(15)26(18)21(29)31-23(5,6)7/h8,10-13H,1,9,14H2,2-7H3