2-cyano-3-[5-[(4-methoxyphenyl)methyl]-2-oxidanylidene-cyclohexyl]propanoic acid

Systemtic Name: 2-cyano-3-[5-[(4-methoxyphenyl)methyl]-2-oxidanylidene-cyclohexyl]propanoic acid Openeye Name: 2-cyano-3-[5-[(4-methoxyphenyl)methyl]-2-oxo-cyclohexyl]propanoic acid CAS Name: 2-cyano-3-[5-[(4-methoxyphenyl)methyl]-2-oxocyclohexyl]propanoic acid IUPAC Name: 2-cyano-3-[5-[(4-methoxyphenyl)methyl]-2-oxocyclohexyl]propanoic acid Traditional Name: 2-cyano-3-(2-keto-5-p-anisyl-cyclohexyl)propionic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2CCC(=O)C(C2)CC(C#N)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2CCC(=O)C(C2)CC(C#N)C(=O)O

InChI

InChI=1S/C18H21NO4/c1-23-16-5-2-12(3-6-16)8-13-4-7-17(20)14(9-13)10-15(11-19)18(21)22/h2-3,5-6,13-15H,4,7-10H2,1H3,(H,21,22)