ethyl (5S)-5-(2-iodanyl-6-methoxy-phenoxy)-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl (5S)-5-(2-iodanyl-6-methoxy-phenoxy)-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl (5S)-5-(2-iodo-6-methoxy-phenoxy)-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carboxylate CAS Name: (5S)-5-(2-iodo-6-methoxyphenoxy)-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (5S)-5-(2-iodo-6-methoxyphenoxy)-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carboxylate Traditional Name: (5S)-5-(2-iodo-6-methoxy-phenoxy)-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C19H24INO4 MolecularWeight: 457.30263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)CCCC2OC3=C(C=CC=C3I)OC

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)CCC[C@@H]2OC3=C(C=CC=C3I)OC

InChI

InChI=1S/C19H24INO4/c1-3-24-19(22)21-11-10-14-13(12-21)6-4-8-16(14)25-18-15(20)7-5-9-17(18)23-2/h5,7,9,16H,3-4,6,8,10-12H2,1-2H3/t16-/m0/s1