1-[4-[2-[(3-chloranyl-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]phenoxy]-2-methyl-cyclopentane-1-carboxylic acid

Systemtic Name: 1-[4-[2-[(3-chloranyl-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]phenoxy]-2-methyl-cyclopentane-1-carboxylic acid Openeye Name: 1-[4-[2-(3-chloro-5-methyl-anilino)-2-oxo-ethyl]phenoxy]-2-methyl-cyclopentanecarboxylic acid CAS Name: 1-[4-[2-(3-chloro-5-methylanilino)-2-oxoethyl]phenoxy]-2-methyl-1-cyclopentanecarboxylic acid IUPAC Name: 1-[4-[2-(3-chloro-5-methylanilino)-2-oxoethyl]phenoxy]-2-methylcyclopentane-1-carboxylic acid Traditional Name: 1-[4-[2-(3-chloro-5-methyl-anilino)-2-keto-ethyl]phenoxy]-2-methyl-cyclopentanecarboxylic acid Formula: C22H24ClNO4 MolecularWeight: 401.88326

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC1(C(=O)O)OC2=CC=C(C=C2)CC(=O)NC3=CC(=CC(=C3)C)Cl

Isomeric SMILES

CC1CCCC1(C(=O)O)OC2=CC=C(C=C2)CC(=O)NC3=CC(=CC(=C3)C)Cl

InChI

InChI=1S/C22H24ClNO4/c1-14-10-17(23)13-18(11-14)24-20(25)12-16-5-7-19(8-6-16)28-22(21(26)27)9-3-4-15(22)2/h5-8,10-11,13,15H,3-4,9,12H2,1-2H3,(H,24,25)(H,26,27)