5-tert-butyl-2-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 5-tert-butyl-2-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 5-tert-butyl-2-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 5-tert-butyl-2-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 5-tert-butyl-2-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 5-tert-butyl-2-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-keto-prop-1-enyl]benzoic acid Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C=CC(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)/C=C/C(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)O

InChI

InChI=1S/C22H23NO5/c1-22(2,3)15-6-4-14(17(12-15)21(25)26)5-9-20(24)23-16-7-8-18-19(13-16)28-11-10-27-18/h4-9,12-13H,10-11H2,1-3H3,(H,23,24)(H,25,26)/b9-5+