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

Systemtic Name: 2-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]phenoxy]-3-methyl-butanoic acid Openeye Name: 2-[4-[2-(3,5-dimethylanilino)-2-oxo-ethyl]phenoxy]-3-methyl-butanoic acid CAS Name: 2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-3-methylbutanoic acid IUPAC Name: 2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-3-methylbutanoic acid Traditional Name: 2-[4-[2-(3,5-dimethylanilino)-2-keto-ethyl]phenoxy]-3-methyl-butyric acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C(C)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C(C)C)C(=O)O)C

InChI

InChI=1S/C21H25NO4/c1-13(2)20(21(24)25)26-18-7-5-16(6-8-18)12-19(23)22-17-10-14(3)9-15(4)11-17/h5-11,13,20H,12H2,1-4H3,(H,22,23)(H,24,25)