1-[4-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]phenoxy]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[4-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]phenoxy]cyclopentane-1-carboxylic acid Openeye Name: 1-[4-[2-(3,4-dimethylanilino)-2-oxo-ethyl]phenoxy]cyclopentanecarboxylic acid CAS Name: 1-[4-[2-(3,4-dimethylanilino)-2-oxoethyl]phenoxy]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[4-[2-(3,4-dimethylanilino)-2-oxoethyl]phenoxy]cyclopentane-1-carboxylic acid Traditional Name: 1-[4-[2-(3,4-dimethylanilino)-2-keto-ethyl]phenoxy]cyclopentanecarboxylic acid Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=CC=C(C=C2)OC3(CCCC3)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=CC=C(C=C2)OC3(CCCC3)C(=O)O)C

InChI

InChI=1S/C22H25NO4/c1-15-5-8-18(13-16(15)2)23-20(24)14-17-6-9-19(10-7-17)27-22(21(25)26)11-3-4-12-22/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,24)(H,25,26)