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

Systemtic Name: (1R,2S)-2-[2-(2-butoxy-5-chloranyl-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[2-(2-butoxy-5-chloro-phenyl)ethylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[2-(2-butoxy-5-chlorophenyl)ethylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[2-(2-butoxy-5-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[2-(2-butoxy-5-chloro-phenyl)ethylcarbamoyl]cyclohexanecarboxylic acid Formula: C20H28ClNO4 MolecularWeight: 381.89362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Cl)CCNC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClNO4/c1-2-3-12-26-18-9-8-15(21)13-14(18)10-11-22-19(23)16-6-4-5-7-17(16)20(24)25/h8-9,13,16-17H,2-7,10-12H2,1H3,(H,22,23)(H,24,25)/t16-,17+/m0/s1