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

Systemtic Name: (1R,2S)-2-[(5-chloranyl-2-propoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(5-chloro-2-propoxy-phenyl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[(5-chloro-2-propoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(5-chloro-2-propoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(5-chloro-2-propoxy-benzyl)carbamoyl]cyclohexanecarboxylic acid Formula: C18H24ClNO4 MolecularWeight: 353.84046

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Cl)CNC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Cl)CNC(=O)[C@H]2CCCC[C@H]2C(=O)O

InChI

InChI=1S/C18H24ClNO4/c1-2-9-24-16-8-7-13(19)10-12(16)11-20-17(21)14-5-3-4-6-15(14)18(22)23/h7-8,10,14-15H,2-6,9,11H2,1H3,(H,20,21)(H,22,23)/t14-,15+/m0/s1