(1S,2S)-2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-[(4-chloro-2-methoxy-5-methyl-phenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2S)-2-[(4-chloro-2-methoxy-5-methylanilino)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-[(4-chloro-2-methoxy-5-methyl-phenyl)carbamoyl]cyclohexanecarboxylic acid Formula: C16H20ClNO4 MolecularWeight: 325.7873

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@H]2CCCC[C@@H]2C(=O)O

InChI

InChI=1S/C16H20ClNO4/c1-9-7-13(14(22-2)8-12(9)17)18-15(19)10-5-3-4-6-11(10)16(20)21/h7-8,10-11H,3-6H2,1-2H3,(H,18,19)(H,20,21)/t10-,11-/m0/s1