tert-butyl 7-iodanyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole-2-carboxylate

Systemtic Name: tert-butyl 7-iodanyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole-2-carboxylate Openeye Name: tert-butyl 7-iodo-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole-2-carboxylate CAS Name: 7-iodo-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-iodo-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole-2-carboxylate Traditional Name: 7-iodo-3,4,10,10a-tetrahydro-1H-pyrazin[1,2-a]indole-2-carboxylic acid tert-butyl ester Formula: C16H21IN2O2 MolecularWeight: 400.25461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN2C(C1)CC3=C2C=C(C=C3)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN2C(C1)CC3=C2C=C(C=C3)I

InChI

InChI=1S/C16H21IN2O2/c1-16(2,3)21-15(20)18-6-7-19-13(10-18)8-11-4-5-12(17)9-14(11)19/h4-5,9,13H,6-8,10H2,1-3H3