2-[2-[(E)-2-cyano-3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(E)-2-cyano-3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(E)-2-cyano-3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxo-prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[2-[(E)-2-cyano-3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxoprop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(E)-2-cyano-3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxoprop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[2-[(E)-3-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-cyano-3-keto-prop-1-enyl]phenoxy]acetic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(=CC2=CC=CC=C2OCC(=O)O)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)/C(=C/C2=CC=CC=C2OCC(=O)O)/C#N)C

InChI

InChI=1S/C21H20N2O6/c1-4-28-21(27)18-12(2)19(23-13(18)3)20(26)15(10-22)9-14-7-5-6-8-16(14)29-11-17(24)25/h5-9,23H,4,11H2,1-3H3,(H,24,25)/b15-9+