(1R,2S)-2-[(3-chloranyl-4,5-dimethoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(3-chloranyl-4,5-dimethoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(3-chloro-4,5-dimethoxy-phenyl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(3-chloro-4,5-dimethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(3-chloro-4,5-dimethoxy-benzyl)carbamoyl]cyclohexanecarboxylic acid Formula: C17H22ClNO5 MolecularWeight: 355.81328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClNO5/c1-23-14-8-10(7-13(18)15(14)24-2)9-19-16(20)11-5-3-4-6-12(11)17(21)22/h7-8,11-12H,3-6,9H2,1-2H3,(H,19,20)(H,21,22)/t11-,12+/m0/s1