4-[(E)-2-[(3S,5S)-3,5-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl]-2-phenylazanyl-ethenyl]piperidine-2,6-dione

Systemtic Name: 4-[(E)-2-[(3S,5S)-3,5-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl]-2-phenylazanyl-ethenyl]piperidine-2,6-dione Openeye Name: 4-[(E)-2-anilino-2-[(3S,5S)-2-hydroxy-3,5-dimethyl-6-oxo-cyclohexen-1-yl]vinyl]piperidine-2,6-dione CAS Name: 4-[(E)-2-anilino-2-[(3S,5S)-2-hydroxy-3,5-dimethyl-6-oxo-1-cyclohexenyl]ethenyl]piperidine-2,6-dione IUPAC Name: 4-[(E)-2-anilino-2-[(3S,5S)-2-hydroxy-3,5-dimethyl-6-oxocyclohexen-1-yl]ethenyl]piperidine-2,6-dione Traditional Name: 4-[(E)-2-anilino-2-[(3S,5S)-2-hydroxy-6-keto-3,5-dimethyl-cyclohexen-1-yl]vinyl]piperidine-2,6-quinone Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)C(=C1O)C(=CC2CC(=O)NC(=O)C2)NC3=CC=CC=C3)C

Isomeric SMILES

C[C@H]1C[C@@H](C(=O)C(=C1O)/C(=C\C2CC(=O)NC(=O)C2)/NC3=CC=CC=C3)C

InChI

InChI=1S/C21H24N2O4/c1-12-8-13(2)21(27)19(20(12)26)16(22-15-6-4-3-5-7-15)9-14-10-17(24)23-18(25)11-14/h3-7,9,12-14,22,26H,8,10-11H2,1-2H3,(H,23,24,25)/b16-9+/t12-,13-/m0/s1