2-[4-cyano-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexylidene]ethanoic acid

Systemtic Name: 2-[4-cyano-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexylidene]ethanoic acid Openeye Name: 2-[4-cyano-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexylidene]acetic acid CAS Name: 2-[4-cyano-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexylidene]acetic acid IUPAC Name: 2-[4-cyano-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexylidene]acetic acid Traditional Name: 2-[4-cyano-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexylidene]acetic acid Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3(CCC(=CC(=O)O)CC3)C#N)OCCO2

Isomeric SMILES

COC1=C2C(=C(C=C1)C3(CCC(=CC(=O)O)CC3)C#N)OCCO2

InChI

InChI=1S/C18H19NO5/c1-22-14-3-2-13(16-17(14)24-9-8-23-16)18(11-19)6-4-12(5-7-18)10-15(20)21/h2-3,10H,4-9H2,1H3,(H,20,21)