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

Systemtic Name: 2-[2-(2-azanyl-3-cyano-5-ethoxycarbonyl-6-methyl-4H-pyran-4-yl)-4-bromanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-(2-amino-3-cyano-5-ethoxycarbonyl-6-methyl-4H-pyran-4-yl)-4-bromo-phenoxy]acetic acid CAS Name: 2-[2-(2-amino-3-cyano-5-ethoxycarbonyl-6-methyl-4H-pyran-4-yl)-4-bromophenoxy]acetic acid IUPAC Name: 2-[2-(2-amino-3-cyano-5-ethoxycarbonyl-6-methyl-4H-pyran-4-yl)-4-bromophenoxy]acetic acid Traditional Name: 2-[2-(2-amino-5-carbethoxy-3-cyano-6-methyl-4H-pyran-4-yl)-4-bromo-phenoxy]acetic acid Formula: C18H17BrN2O6 MolecularWeight: 437.24138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=C(C=CC(=C2)Br)OCC(=O)O)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=C(C=CC(=C2)Br)OCC(=O)O)C#N)N)C

InChI

InChI=1S/C18H17BrN2O6/c1-3-25-18(24)15-9(2)27-17(21)12(7-20)16(15)11-6-10(19)4-5-13(11)26-8-14(22)23/h4-6,16H,3,8,21H2,1-2H3,(H,22,23)