(2R,3S)-2-tert-butyl-3-(furan-2-yl)-5-methoxy-1,2,3,6-tetrahydroazepin-7-one

Systemtic Name: (2R,3S)-2-tert-butyl-3-(furan-2-yl)-5-methoxy-1,2,3,6-tetrahydroazepin-7-one Openeye Name: (2R,3S)-2-tert-butyl-3-(2-furyl)-5-methoxy-1,2,3,6-tetrahydroazepin-7-one CAS Name: (2R,3S)-2-tert-butyl-3-(2-furanyl)-5-methoxy-1,2,3,6-tetrahydroazepin-7-one IUPAC Name: (2R,3S)-2-tert-butyl-3-(furan-2-yl)-5-methoxy-1,2,3,6-tetrahydroazepin-7-one Traditional Name: (2R,3S)-2-tert-butyl-3-(2-furyl)-5-methoxy-1,2,3,6-tetrahydroazepin-7-one Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(C=C(CC(=O)N1)OC)C2=CC=CO2

Isomeric SMILES

CC(C)(C)[C@H]1[C@H](C=C(CC(=O)N1)OC)C2=CC=CO2

InChI

InChI=1S/C15H21NO3/c1-15(2,3)14-11(12-6-5-7-19-12)8-10(18-4)9-13(17)16-14/h5-8,11,14H,9H2,1-4H3,(H,16,17)/t11-,14-/m1/s1