[(4aR,6S,8aR)-6-(iodanylmethyl)-2-(phenylcarbonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [(4aR,6S,8aR)-6-(iodanylmethyl)-2-(phenylcarbonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(4aR,6S,8aR)-2-benzoyl-6-(iodomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [(4aR,6S,8aR)-2-benzoyl-6-(iodomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [(4aR,6S,8aR)-2-benzoyl-6-(iodomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(4aR,6S,8aR)-2-benzoyl-6-(iodomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl]-pyrrolidino-methanone Formula: C22H29IN2O2 MolecularWeight: 480.38233

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC3CC(CCC3CN2C(=O)C4=CC=CC=C4)CI

Isomeric SMILES

C1CCN(C1)C(=O)C2C[C@H]3C[C@H](CC[C@H]3CN2C(=O)C4=CC=CC=C4)CI

InChI

InChI=1S/C22H29IN2O2/c23-14-16-8-9-18-15-25(21(26)17-6-2-1-3-7-17)20(13-19(18)12-16)22(27)24-10-4-5-11-24/h1-3,6-7,16,18-20H,4-5,8-15H2/t16-,18-,19+,20?/m0/s1