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

Systemtic Name: (1R,2S)-2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[oxo-[2-(4-propoxyphenyl)ethylamino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexanecarboxylic acid Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CCNC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)CCNC(=O)[C@H]2CCCC[C@H]2C(=O)O

InChI

InChI=1S/C19H27NO4/c1-2-13-24-15-9-7-14(8-10-15)11-12-20-18(21)16-5-3-4-6-17(16)19(22)23/h7-10,16-17H,2-6,11-13H2,1H3,(H,20,21)(H,22,23)/t16-,17+/m0/s1