1-[2-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-(4-chloro-2,5-dimethoxy-anilino)-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-(4-chloro-2,5-dimethoxy-anilino)-2-keto-ethyl]cyclohexanecarboxylic acid Formula: C17H22ClNO5 MolecularWeight: 355.81328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CC2(CCCCC2)C(=O)O)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CC2(CCCCC2)C(=O)O)OC)Cl

InChI

InChI=1S/C17H22ClNO5/c1-23-13-9-12(14(24-2)8-11(13)18)19-15(20)10-17(16(21)22)6-4-3-5-7-17/h8-9H,3-7,10H2,1-2H3,(H,19,20)(H,21,22)