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

Systemtic Name: 1-[[4-[2-[(3-chloranyl-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]phenoxy]methyl]-3-methyl-cyclopentane-1-carboxylic acid Openeye Name: 1-[[4-[2-(3-chloro-5-methyl-anilino)-2-oxo-ethyl]phenoxy]methyl]-3-methyl-cyclopentanecarboxylic acid CAS Name: 1-[[4-[2-(3-chloro-5-methylanilino)-2-oxoethyl]phenoxy]methyl]-3-methyl-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[4-[2-(3-chloro-5-methylanilino)-2-oxoethyl]phenoxy]methyl]-3-methylcyclopentane-1-carboxylic acid Traditional Name: 1-[[4-[2-(3-chloro-5-methyl-anilino)-2-keto-ethyl]phenoxy]methyl]-3-methyl-cyclopentanecarboxylic acid Formula: C23H26ClNO4 MolecularWeight: 415.90984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C1)(COC2=CC=C(C=C2)CC(=O)NC3=CC(=CC(=C3)C)Cl)C(=O)O

Isomeric SMILES

CC1CCC(C1)(COC2=CC=C(C=C2)CC(=O)NC3=CC(=CC(=C3)C)Cl)C(=O)O

InChI

InChI=1S/C23H26ClNO4/c1-15-7-8-23(13-15,22(27)28)14-29-20-5-3-17(4-6-20)11-21(26)25-19-10-16(2)9-18(24)12-19/h3-6,9-10,12,15H,7-8,11,13-14H2,1-2H3,(H,25,26)(H,27,28)