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

Systemtic Name: [(2S,5S)-1-methyl-3-oxidanylidene-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl ethanoate Openeye Name: [(2S,5S)-2-isopropyl-1-methyl-3-oxo-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl acetate CAS Name: acetic acid [(2S,5S)-1-methyl-3-oxo-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl ester IUPAC Name: [(2S,5S)-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)-2-isopropyl-3-keto-1-methyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl ester Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC(CC2=CC=CC=C2N1C)COC(=O)C

Isomeric SMILES

CC(C)[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2N1C)COC(=O)C

InChI

InChI=1S/C17H24N2O3/c1-11(2)16-17(21)18-14(10-22-12(3)20)9-13-7-5-6-8-15(13)19(16)4/h5-8,11,14,16H,9-10H2,1-4H3,(H,18,21)/t14-,16-/m0/s1