tert-butyl 2-[[(E)-5-ethoxy-5-oxidanylidene-pent-3-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]-3-iodanyl-indole-1-carboxylate

Systemtic Name: tert-butyl 2-[[(E)-5-ethoxy-5-oxidanylidene-pent-3-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]-3-iodanyl-indole-1-carboxylate Openeye Name: tert-butyl 2-[tert-butoxycarbonyl-[(E)-5-ethoxy-5-oxo-pent-3-enyl]carbamoyl]-3-iodo-indole-1-carboxylate CAS Name: 2-[[[(E)-5-ethoxy-5-oxopent-3-enyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-oxomethyl]-3-iodo-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(E)-5-ethoxy-5-oxopent-3-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]-3-iodoindole-1-carboxylate Traditional Name: 2-[tert-butoxycarbonyl-[(E)-5-ethoxy-5-keto-pent-3-enyl]carbamoyl]-3-iodo-indole-1-carboxylic acid tert-butyl ester Formula: C26H33IN2O7 MolecularWeight: 612.45389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/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/C26H33IN2O7/c1-8-34-19(30)15-11-12-16-28(23(32)35-25(2,3)4)22(31)21-20(27)17-13-9-10-14-18(17)29(21)24(33)36-26(5,6)7/h9-11,13-15H,8,12,16H2,1-7H3/b15-11+