triethyl (2R,3S)-3-cyano-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]cyclohexane-1,1,3-tricarboxylate

Systemtic Name: triethyl (2R,3S)-3-cyano-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]cyclohexane-1,1,3-tricarboxylate Openeye Name: triethyl (2R,3S)-3-cyano-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]cyclohexane-1,1,3-tricarboxylate CAS Name: (2R,3S)-3-cyano-2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclohexane-1,1,3-tricarboxylic acid triethyl ester IUPAC Name: triethyl (2R,3S)-3-cyano-2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclohexane-1,1,3-tricarboxylate Traditional Name: (2R,3S)-3-cyano-2-[2-keto-2-(4-methoxyphenyl)ethyl]cyclohexane-1,1,3-tricarboxylic acid triethyl ester Formula: C25H31NO8 MolecularWeight: 473.51554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC(C1CC(=O)C2=CC=C(C=C2)OC)(C(=O)OCC)C(=O)OCC)C#N

Isomeric SMILES

CCOC(=O)[C@]1(CCCC([C@@H]1CC(=O)C2=CC=C(C=C2)OC)(C(=O)OCC)C(=O)OCC)C#N

InChI

InChI=1S/C25H31NO8/c1-5-32-21(28)24(16-26)13-8-14-25(22(29)33-6-2,23(30)34-7-3)20(24)15-19(27)17-9-11-18(31-4)12-10-17/h9-12,20H,5-8,13-15H2,1-4H3/t20-,24-/m1/s1