[(2S,5S)-8-iodanyl-1-methyl-3-oxidanylidene-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl ethanoate

Systemtic Name: [(2S,5S)-8-iodanyl-1-methyl-3-oxidanylidene-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl ethanoate Openeye Name: [(2S,5S)-8-iodo-2-isopropyl-1-methyl-3-oxo-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl acetate CAS Name: acetic acid [(2S,5S)-8-iodo-1-methyl-3-oxo-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl ester IUPAC Name: [(2S,5S)-8-iodo-1-methyl-3-oxo-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl acetate Traditional Name: acetic acid [(2S,5S)-8-iodo-2-isopropyl-3-keto-1-methyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl ester Formula: C17H23IN2O3 MolecularWeight: 430.28059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC(CC2=C(N1C)C=CC(=C2)I)COC(=O)C

Isomeric SMILES

CC(C)[C@H]1C(=O)N[C@@H](CC2=C(N1C)C=CC(=C2)I)COC(=O)C

InChI

InChI=1S/C17H23IN2O3/c1-10(2)16-17(22)19-14(9-23-11(3)21)8-12-7-13(18)5-6-15(12)20(16)4/h5-7,10,14,16H,8-9H2,1-4H3,(H,19,22)/t14-,16-/m0/s1