4-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]phenoxy]oxane-2-carboxylic acid

Systemtic Name: 4-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]phenoxy]oxane-2-carboxylic acid Openeye Name: 4-[4-[2-(3,5-dimethylanilino)-2-oxo-ethyl]phenoxy]tetrahydropyran-2-carboxylic acid CAS Name: 4-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-oxanecarboxylic acid IUPAC Name: 4-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]oxane-2-carboxylic acid Traditional Name: 4-[4-[2-(3,5-dimethylanilino)-2-keto-ethyl]phenoxy]tetrahydropyran-2-carboxylic acid Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC3CCOC(C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC3CCOC(C3)C(=O)O)C

InChI

InChI=1S/C22H25NO5/c1-14-9-15(2)11-17(10-14)23-21(24)12-16-3-5-18(6-4-16)28-19-7-8-27-20(13-19)22(25)26/h3-6,9-11,19-20H,7-8,12-13H2,1-2H3,(H,23,24)(H,25,26)