(1R,2S)-2-[(5-chloranyl-2-methoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(5-chloranyl-2-methoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(5-chloro-2-methoxy-phenyl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[(5-chloro-2-methoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(5-chloro-2-methoxy-benzyl)carbamoyl]cyclohexanecarboxylic acid Formula: C16H20ClNO4 MolecularWeight: 325.7873

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CNC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CNC(=O)[C@H]2CCCC[C@H]2C(=O)O

InChI

InChI=1S/C16H20ClNO4/c1-22-14-7-6-11(17)8-10(14)9-18-15(19)12-4-2-3-5-13(12)16(20)21/h6-8,12-13H,2-5,9H2,1H3,(H,18,19)(H,20,21)/t12-,13+/m0/s1