(1S,2S)-2-[(4-butoxy-3-ethoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-[(4-butoxy-3-ethoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-[(4-butoxy-3-ethoxy-phenyl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2S)-2-[[(4-butoxy-3-ethoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-[(4-butoxy-3-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-[(4-butoxy-3-ethoxy-benzyl)carbamoyl]cyclohexanecarboxylic acid Formula: C21H31NO5 MolecularWeight: 377.47454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO5/c1-3-5-12-27-18-11-10-15(13-19(18)26-4-2)14-22-20(23)16-8-6-7-9-17(16)21(24)25/h10-11,13,16-17H,3-9,12,14H2,1-2H3,(H,22,23)(H,24,25)/t16-,17-/m0/s1