4-[4-cyano-2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)propanoylamino]phenyl]butanoic acid

Systemtic Name: 4-[4-cyano-2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)propanoylamino]phenyl]butanoic acid Openeye Name: 4-[4-cyano-2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-cyano-2-[[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-cyano-2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)propanoylamino]phenyl]butanoic acid Traditional Name: 4-[4-cyano-2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)propanoylamino]phenyl]butyric acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C(=CC=C1)OCCO2)C(=O)NC3=C(C=CC(=C3)C#N)CCCC(=O)O

Isomeric SMILES

CC(C1=C2C(=CC=C1)OCCO2)C(=O)NC3=C(C=CC(=C3)C#N)CCCC(=O)O

InChI

InChI=1S/C22H22N2O5/c1-14(17-5-3-6-19-21(17)29-11-10-28-19)22(27)24-18-12-15(13-23)8-9-16(18)4-2-7-20(25)26/h3,5-6,8-9,12,14H,2,4,7,10-11H2,1H3,(H,24,27)(H,25,26)