(1S,2R)-2-[2-(4-phenoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[2-(4-phenoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[2-(4-phenoxyphenyl)ethylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[oxo-[2-(4-phenoxyphenyl)ethylamino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[2-(4-phenoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[2-(4-phenoxyphenyl)ethylcarbamoyl]cyclohexanecarboxylic acid Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCCC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCCC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H25NO4/c24-21(19-8-4-5-9-20(19)22(25)26)23-15-14-16-10-12-18(13-11-16)27-17-6-2-1-3-7-17/h1-3,6-7,10-13,19-20H,4-5,8-9,14-15H2,(H,23,24)(H,25,26)/t19-,20+/m1/s1