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

Systemtic Name: 1-[2-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(4-chloro-2,5-dimethoxy-anilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-(4-chloro-2,5-dimethoxy-anilino)-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C18H24ClNO5 MolecularWeight: 369.83986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CC2(CCCCCC2)C(=O)O)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CC2(CCCCCC2)C(=O)O)OC)Cl

InChI

InChI=1S/C18H24ClNO5/c1-24-14-10-13(15(25-2)9-12(14)19)20-16(21)11-18(17(22)23)7-5-3-4-6-8-18/h9-10H,3-8,11H2,1-2H3,(H,20,21)(H,22,23)