methyl (1S,5E)-2,2-dimethyl-4,6-bis(oxidanylidene)-5-(1-phenylazanylbutylidene)cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,5E)-2,2-dimethyl-4,6-bis(oxidanylidene)-5-(1-phenylazanylbutylidene)cyclohexane-1-carboxylate Openeye Name: methyl (1S,5E)-5-(1-anilinobutylidene)-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylate CAS Name: (1S,5E)-5-(1-anilinobutylidene)-2,2-dimethyl-4,6-dioxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,5E)-5-(1-anilinobutylidene)-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate Traditional Name: (1S,5E)-5-(1-anilinobutylidene)-4,6-diketo-2,2-dimethyl-cyclohexanecarboxylic acid methyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(C(C1=O)C(=O)OC)(C)C)NC2=CC=CC=C2

Isomeric SMILES

CCC/C(=C\1/C(=O)CC([C@@H](C1=O)C(=O)OC)(C)C)/NC2=CC=CC=C2

InChI

InChI=1S/C20H25NO4/c1-5-9-14(21-13-10-7-6-8-11-13)16-15(22)12-20(2,3)17(18(16)23)19(24)25-4/h6-8,10-11,17,21H,5,9,12H2,1-4H3/b16-14+/t17-/m0/s1