1-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C17H22ClNO4 MolecularWeight: 339.81388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CC2(CCCCCC2)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CC2(CCCCCC2)C(=O)O)Cl

InChI

InChI=1S/C17H22ClNO4/c1-23-14-7-6-12(10-13(14)18)19-15(20)11-17(16(21)22)8-4-2-3-5-9-17/h6-7,10H,2-5,8-9,11H2,1H3,(H,19,20)(H,21,22)