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

Systemtic Name: (1S,2R)-2-[(5-chloranyl-2-oxidanyl-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[(5-chloro-2-hydroxy-phenyl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[(5-chloro-2-hydroxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[(5-chloro-2-hydroxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[(5-chloro-2-hydroxy-benzyl)carbamoyl]cyclohexanecarboxylic acid Formula: C15H18ClNO4 MolecularWeight: 311.76072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC2=C(C=CC(=C2)Cl)O)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC2=C(C=CC(=C2)Cl)O)C(=O)O

InChI

InChI=1S/C15H18ClNO4/c16-10-5-6-13(18)9(7-10)8-17-14(19)11-3-1-2-4-12(11)15(20)21/h5-7,11-12,18H,1-4,8H2,(H,17,19)(H,20,21)/t11-,12+/m1/s1