3-[4-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]propanoic acid

Systemtic Name: 3-[4-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]propanoic acid Openeye Name: 3-[4-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxo-prop-1-enyl]phenoxy]propanoic acid CAS Name: 3-[4-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxoprop-1-enyl]phenoxy]propanoic acid IUPAC Name: 3-[4-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxoprop-1-enyl]phenoxy]propanoic acid Traditional Name: 3-[4-[(E)-2-cyano-3-keto-3-(2-methyl-1H-indol-3-yl)prop-1-enyl]phenoxy]propionic acid Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(=CC3=CC=C(C=C3)OCCC(=O)O)C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)/C(=C/C3=CC=C(C=C3)OCCC(=O)O)/C#N

InChI

InChI=1S/C22H18N2O4/c1-14-21(18-4-2-3-5-19(18)24-14)22(27)16(13-23)12-15-6-8-17(9-7-15)28-11-10-20(25)26/h2-9,12,24H,10-11H2,1H3,(H,25,26)/b16-12+