2-[2-(2-azanyl-3-cyano-5-ethoxycarbonyl-6-methyl-4H-pyran-4-yl)phenoxy]ethanoic acid

Systemtic Name: 2-[2-(2-azanyl-3-cyano-5-ethoxycarbonyl-6-methyl-4H-pyran-4-yl)phenoxy]ethanoic acid Openeye Name: 2-[2-(2-amino-3-cyano-5-ethoxycarbonyl-6-methyl-4H-pyran-4-yl)phenoxy]acetic acid CAS Name: 2-[2-(2-amino-3-cyano-5-ethoxycarbonyl-6-methyl-4H-pyran-4-yl)phenoxy]acetic acid IUPAC Name: 2-[2-(2-amino-3-cyano-5-ethoxycarbonyl-6-methyl-4H-pyran-4-yl)phenoxy]acetic acid Traditional Name: 2-[2-(2-amino-5-carbethoxy-3-cyano-6-methyl-4H-pyran-4-yl)phenoxy]acetic acid Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2OCC(=O)O)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2OCC(=O)O)C#N)N)C

InChI

InChI=1S/C18H18N2O6/c1-3-24-18(23)15-10(2)26-17(20)12(8-19)16(15)11-6-4-5-7-13(11)25-9-14(21)22/h4-7,16H,3,9,20H2,1-2H3,(H,21,22)