(1R,2S)-2-[(4-butoxy-3-chloranyl-5-methoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(4-butoxy-3-chloranyl-5-methoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(4-butoxy-3-chloro-5-methoxy-phenyl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[(4-butoxy-3-chloro-5-methoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(4-butoxy-3-chloro-5-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(4-butoxy-3-chloro-5-methoxy-benzyl)carbamoyl]cyclohexanecarboxylic acid Formula: C20H28ClNO5 MolecularWeight: 397.89302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)CNC(=O)C2CCCCC2C(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)CNC(=O)[C@H]2CCCC[C@H]2C(=O)O)OC

InChI

InChI=1S/C20H28ClNO5/c1-3-4-9-27-18-16(21)10-13(11-17(18)26-2)12-22-19(23)14-7-5-6-8-15(14)20(24)25/h10-11,14-15H,3-9,12H2,1-2H3,(H,22,23)(H,24,25)/t14-,15+/m0/s1