(2R,3S)-2-cyano-4,4,5-trimethoxy-3-(4-methoxyphenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: (2R,3S)-2-cyano-4,4,5-trimethoxy-3-(4-methoxyphenyl)-5-oxidanylidene-pentanoic acid Openeye Name: (2R,3S)-2-cyano-4,4,5-trimethoxy-3-(4-methoxyphenyl)-5-oxo-pentanoic acid CAS Name: (2R,3S)-2-cyano-4,4,5-trimethoxy-3-(4-methoxyphenyl)-5-oxopentanoic acid IUPAC Name: (2R,3S)-2-cyano-4,4,5-trimethoxy-3-(4-methoxyphenyl)-5-oxopentanoic acid Traditional Name: (2R,3S)-2-cyano-5-keto-4,4,5-trimethoxy-3-(4-methoxyphenyl)valeric acid Formula: C16H19NO7 MolecularWeight: 337.32456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C#N)C(=O)O)C(C(=O)OC)(OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]([C@H](C#N)C(=O)O)C(C(=O)OC)(OC)OC

InChI

InChI=1S/C16H19NO7/c1-21-11-7-5-10(6-8-11)13(12(9-17)14(18)19)16(23-3,24-4)15(20)22-2/h5-8,12-13H,1-4H3,(H,18,19)/t12-,13+/m0/s1