(1R,2S)-2-[2-(2-butoxy-4-methoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[2-(2-butoxy-4-methoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[2-(2-butoxy-4-methoxy-phenyl)ethylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[2-(2-butoxy-4-methoxyphenyl)ethylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[2-(2-butoxy-4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[2-(2-butoxy-4-methoxy-phenyl)ethylcarbamoyl]cyclohexanecarboxylic acid Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)OC)CCNC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)OC)CCNC(=O)[C@H]2CCCC[C@H]2C(=O)O

InChI

InChI=1S/C21H31NO5/c1-3-4-13-27-19-14-16(26-2)10-9-15(19)11-12-22-20(23)17-7-5-6-8-18(17)21(24)25/h9-10,14,17-18H,3-8,11-13H2,1-2H3,(H,22,23)(H,24,25)/t17-,18+/m0/s1