3-chloranyl-5-cyano-2-(cyclohexylcarbamoyl)-4-methyl-benzoic acid

Systemtic Name: 3-chloranyl-5-cyano-2-(cyclohexylcarbamoyl)-4-methyl-benzoic acid Openeye Name: 3-chloro-5-cyano-2-(cyclohexylcarbamoyl)-4-methyl-benzoic acid CAS Name: 3-chloro-5-cyano-2-[(cyclohexylamino)-oxomethyl]-4-methylbenzoic acid IUPAC Name: 3-chloro-5-cyano-2-(cyclohexylcarbamoyl)-4-methylbenzoic acid Traditional Name: 3-chloro-5-cyano-2-(cyclohexylcarbamoyl)-4-methyl-benzoic acid Formula: C16H17ClN2O3 MolecularWeight: 320.77078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C#N)C(=O)O)C(=O)NC2CCCCC2)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1C#N)C(=O)O)C(=O)NC2CCCCC2)Cl

InChI

InChI=1S/C16H17ClN2O3/c1-9-10(8-18)7-12(16(21)22)13(14(9)17)15(20)19-11-5-3-2-4-6-11/h7,11H,2-6H2,1H3,(H,19,20)(H,21,22)