methyl (2S,5S)-1-methyl-3-oxidanylidene-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocine-5-carboxylate

Systemtic Name: methyl (2S,5S)-1-methyl-3-oxidanylidene-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocine-5-carboxylate Openeye Name: methyl (2S,5S)-2-isopropyl-1-methyl-3-oxo-2,4,5,6-tetrahydro-1,4-benzodiazocine-5-carboxylate CAS Name: (2S,5S)-1-methyl-3-oxo-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocine-5-carboxylic acid methyl ester IUPAC Name: methyl (2S,5S)-1-methyl-3-oxo-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocine-5-carboxylate Traditional Name: (2S,5S)-2-isopropyl-3-keto-1-methyl-2,4,5,6-tetrahydro-1,4-benzodiazocine-5-carboxylic acid methyl ester Formula: C16H22N2O3 MolecularWeight: 290.35748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-10(2)14-15(19)17-12(16(20)21-4)9-11-7-5-6-8-13(11)18(14)3/h5-8,10,12,14H,9H2,1-4H3,(H,17,19)/t12-,14-/m0/s1