(1R,2S)-2-[2-(3-hexoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[2-(3-hexoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[2-(3-hexoxyphenyl)ethylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[2-(3-hexoxyphenyl)ethylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[2-(3-hexoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[2-(3-hexoxyphenyl)ethylcarbamoyl]cyclohexanecarboxylic acid Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)CCNC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)CCNC(=O)[C@H]2CCCC[C@H]2C(=O)O

InChI

InChI=1S/C22H33NO4/c1-2-3-4-7-15-27-18-10-8-9-17(16-18)13-14-23-21(24)19-11-5-6-12-20(19)22(25)26/h8-10,16,19-20H,2-7,11-15H2,1H3,(H,23,24)(H,25,26)/t19-,20+/m0/s1