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

Systemtic Name: 4-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]phenoxy]oxane-4-carboxylic acid Openeye Name: 4-[4-[2-(3,5-dimethylanilino)-2-oxo-ethyl]phenoxy]tetrahydropyran-4-carboxylic acid CAS Name: 4-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-4-oxanecarboxylic acid IUPAC Name: 4-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]oxane-4-carboxylic acid Traditional Name: 4-[4-[2-(3,5-dimethylanilino)-2-keto-ethyl]phenoxy]tetrahydropyran-4-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)OC3(CCOCC3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC3(CCOCC3)C(=O)O)C

InChI

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