(6S)-2-(C-ethyl-N-phenethyl-carbonimidoyl)-6-methoxycarbonyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: (6S)-2-(C-ethyl-N-phenethyl-carbonimidoyl)-6-methoxycarbonyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: (6S)-2-(C-ethyl-N-phenethyl-carbonimidoyl)-6-methoxycarbonyl-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: (6S)-6-methoxycarbonyl-5,5-dimethyl-3-oxo-2-(1-phenethyliminopropyl)-1-cyclohexenolate IUPAC Name: (6S)-2-(C-ethyl-N-phenethylcarbonimidoyl)-6-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: (6S)-6-carbomethoxy-2-(C-ethyl-N-phenethyl-carbonimidoyl)-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C21H26NO4- MolecularWeight: 356.43544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NCCC1=CC=CC=C1)C2=C(C(C(CC2=O)(C)C)C(=O)OC)[O-]

Isomeric SMILES

CCC(=NCCC1=CC=CC=C1)C2=C([C@H](C(CC2=O)(C)C)C(=O)OC)[O-]

InChI

InChI=1S/C21H27NO4/c1-5-15(22-12-11-14-9-7-6-8-10-14)17-16(23)13-21(2,3)18(19(17)24)20(25)26-4/h6-10,18,24H,5,11-13H2,1-4H3/p-1/t18-/m0/s1