2-cyano-2-[2-ethyl-4-(4-methoxyphenyl)-2-methyl-oxan-4-yl]ethanoic acid

Systemtic Name: 2-cyano-2-[2-ethyl-4-(4-methoxyphenyl)-2-methyl-oxan-4-yl]ethanoic acid Openeye Name: 2-cyano-2-[2-ethyl-4-(4-methoxyphenyl)-2-methyl-tetrahydropyran-4-yl]acetic acid CAS Name: 2-cyano-2-[2-ethyl-4-(4-methoxyphenyl)-2-methyl-4-oxanyl]acetic acid IUPAC Name: 2-cyano-2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]acetic acid Traditional Name: 2-cyano-2-[2-ethyl-4-(4-methoxyphenyl)-2-methyl-tetrahydropyran-4-yl]acetic acid Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CCO1)(C2=CC=C(C=C2)OC)C(C#N)C(=O)O)C

Isomeric SMILES

CCC1(CC(CCO1)(C2=CC=C(C=C2)OC)C(C#N)C(=O)O)C

InChI

InChI=1S/C18H23NO4/c1-4-17(2)12-18(9-10-23-17,15(11-19)16(20)21)13-5-7-14(22-3)8-6-13/h5-8,15H,4,9-10,12H2,1-3H3,(H,20,21)