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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C1)(C(=O)O)OC2=CC=C(C=C2)CC(=O)NC3=CC(=CC(=C3)C)Cl

Isomeric SMILES

CC1CCC(C1)(C(=O)O)OC2=CC=C(C=C2)CC(=O)NC3=CC(=CC(=C3)C)Cl

InChI

InChI=1S/C22H24ClNO4/c1-14-7-8-22(13-14,21(26)27)28-19-5-3-16(4-6-19)11-20(25)24-18-10-15(2)9-17(23)12-18/h3-6,9-10,12,14H,7-8,11,13H2,1-2H3,(H,24,25)(H,26,27)