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

Systemtic Name: tert-butyl 3-iodanyl-2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-pent-3-enyl]carbamoyl]indole-1-carboxylate Openeye Name: tert-butyl 2-[tert-butoxycarbonyl-[(E)-pent-3-enyl]carbamoyl]-3-iodo-indole-1-carboxylate CAS Name: 3-iodo-2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]-[(E)-pent-3-enyl]amino]-oxomethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-iodo-2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-pent-3-enyl]carbamoyl]indole-1-carboxylate Traditional Name: 2-[tert-butoxycarbonyl-[(E)-pent-3-enyl]carbamoyl]-3-iodo-indole-1-carboxylic acid tert-butyl ester Formula: C24H31IN2O5 MolecularWeight: 554.41781

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCCN(C(=O)C1=C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)I)C(=O)OC(C)(C)C

Isomeric SMILES

C/C=C/CCN(C(=O)C1=C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)I)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H31IN2O5/c1-8-9-12-15-26(21(29)31-23(2,3)4)20(28)19-18(25)16-13-10-11-14-17(16)27(19)22(30)32-24(5,6)7/h8-11,13-14H,12,15H2,1-7H3/b9-8+