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

Systemtic Name: 2-[2-[(E)-2-cyano-3-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(E)-3-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-3-oxo-prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[2-[(E)-2-cyano-3-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-3-oxoprop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(E)-2-cyano-3-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-3-oxoprop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[2-[(E)-3-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-3-keto-prop-1-enyl]phenoxy]acetic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)C(=CC2=CC=CC=C2OCC(=O)O)C#N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)/C(=C/C2=CC=CC=C2OCC(=O)O)/C#N

InChI

InChI=1S/C21H20N2O4/c1-4-9-23-14(2)10-18(15(23)3)21(26)17(12-22)11-16-7-5-6-8-19(16)27-13-20(24)25/h4-8,10-11H,1,9,13H2,2-3H3,(H,24,25)/b17-11+