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

Systemtic Name: (1R,2S)-2-[(2-butoxy-5-chloranyl-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(2-butoxy-5-chloro-phenyl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[(2-butoxy-5-chlorophenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(2-butoxy-5-chlorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(2-butoxy-5-chloro-benzyl)carbamoyl]cyclohexanecarboxylic acid Formula: C19H26ClNO4 MolecularWeight: 367.86704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClNO4/c1-2-3-10-25-17-9-8-14(20)11-13(17)12-21-18(22)15-6-4-5-7-16(15)19(23)24/h8-9,11,15-16H,2-7,10,12H2,1H3,(H,21,22)(H,23,24)/t15-,16+/m0/s1